REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3h1c_1_G DATA FIRST_RESID 2 DATA SEQUENCE LNPIVRKFQY GQHTVTLETG MMARQATAAV MVSMDDTAVF VTVVGQKKAK DATA SEQUENCE PGQDFFPLTV NYQERTYAAG RIPGSFFRRE GRPSEGETLI ARLIDRPIRP DATA SEQUENCE LFPEGFVNEV QVIATVVSVN PQVNPDIVAM IGASAALSLS GIPFNGPIGA DATA SEQUENCE ARVGYINDQY VLNPTQDELK ESKLDLVVAG TEAAVLMVES EAQLLSEDQM DATA SEQUENCE LGAVVFGHEQ QQVVIQNINE LVKEAGKPRW DWQPEPVNEA LNARVAALAE DATA SEQUENCE ARLSDAYRIT DKQERYAQVD VIKSETIATL LAEDETLDEN ELGEILHAIE DATA SEQUENCE KNVVRSRVLA GEPRIDGREK DMIRGLDVRT GVLPRTHGSA LFTRGETQAL DATA SEQUENCE VTATLGTARD AQVLDELMGE RTDTFLFHYN FPPYSVGETG MVGSPKRREI DATA SEQUENCE GHGRLAKRGV LAVMPDMDKF PYTVRVVSEI TESNGSSSMA SVCGASLALM DATA SEQUENCE DAGVPIKAAV AGIAMGLVKE GDNYVVLSDI LGDEDHLGDM DFKVAGSRDG DATA SEQUENCE ISALQMDIKI EGITKEIMQV ALNQAKGARL HILGVMEQAI NAP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.879 176.870 0.015 0.000 1.165 2 L CA 0.000 54.849 54.840 0.015 0.000 0.813 2 L CB 0.000 42.067 42.059 0.013 0.000 0.961 3 N N 4.998 123.709 118.700 0.018 0.000 2.310 3 N HA 0.609 5.349 4.740 0.000 0.000 0.292 3 N C -2.747 172.777 175.510 0.023 0.000 1.049 3 N CA -0.843 52.218 53.050 0.019 0.000 0.849 3 N CB 2.584 41.081 38.487 0.017 0.000 1.532 3 N HN 0.370 nan 8.380 nan 0.000 0.479 4 P HA 0.451 nan 4.420 nan 0.000 0.277 4 P C -0.614 176.704 177.300 0.030 0.000 1.240 4 P CA -0.295 62.823 63.100 0.030 0.000 0.798 4 P CB 1.319 33.037 31.700 0.030 0.000 0.979 5 I N 1.528 122.118 120.570 0.034 0.000 2.410 5 I HA 0.375 4.545 4.170 0.000 0.000 0.286 5 I C -0.125 176.015 176.117 0.038 0.000 1.009 5 I CA -0.901 60.418 61.300 0.032 0.000 1.111 5 I CB 2.062 40.079 38.000 0.029 0.000 1.262 5 I HN 0.057 nan 8.210 nan 0.000 0.443 6 V N 5.660 125.597 119.914 0.038 0.000 2.823 6 V HA 0.942 5.062 4.120 0.000 0.000 0.312 6 V C -0.471 175.655 176.094 0.054 0.000 1.072 6 V CA -0.265 62.062 62.300 0.046 0.000 0.937 6 V CB 1.867 33.715 31.823 0.042 0.000 1.013 6 V HN 0.818 nan 8.190 nan 0.000 0.430 7 R N 4.029 124.574 120.500 0.074 0.000 2.574 7 R HA 0.840 5.180 4.340 0.000 0.000 0.288 7 R C -1.108 175.280 176.300 0.147 0.000 1.004 7 R CA -0.744 55.419 56.100 0.105 0.000 0.895 7 R CB 1.753 32.119 30.300 0.109 0.000 1.191 7 R HN 0.828 nan 8.270 nan 0.000 0.444 8 K N 2.186 122.676 120.400 0.151 0.000 2.426 8 K HA 0.764 5.085 4.320 0.000 0.000 0.254 8 K C -1.368 175.354 176.600 0.203 0.000 0.936 8 K CA -0.714 55.642 56.287 0.116 0.000 0.801 8 K CB 1.151 33.681 32.500 0.051 0.000 1.139 8 K HN 0.641 nan 8.250 nan 0.000 0.424 9 F N -0.092 119.875 119.950 0.027 0.000 2.643 9 F HA 0.487 5.014 4.527 0.000 0.000 0.314 9 F C -1.078 174.759 175.800 0.063 0.000 1.096 9 F CA -1.159 56.860 58.000 0.033 0.000 0.953 9 F CB 1.161 40.170 39.000 0.015 0.000 1.345 9 F HN 0.177 nan 8.300 nan 0.000 0.468 10 Q N 1.640 121.558 119.800 0.196 0.000 2.235 10 Q HA 0.276 4.616 4.340 0.000 0.000 0.250 10 Q C -1.856 174.315 176.000 0.286 0.000 0.909 10 Q CA -0.389 55.486 55.803 0.119 0.000 0.910 10 Q CB 2.150 30.951 28.738 0.106 0.000 1.223 10 Q HN 0.839 nan 8.270 nan 0.000 0.432 11 Y N 0.896 121.210 120.300 0.023 0.000 2.317 11 Y HA 0.395 4.945 4.550 0.000 0.000 0.329 11 Y C 0.495 176.437 175.900 0.071 0.000 1.101 11 Y CA 0.350 58.503 58.100 0.088 0.000 1.228 11 Y CB 0.418 38.941 38.460 0.104 0.000 1.123 11 Y HN 0.843 nan 8.280 nan 0.000 0.457 12 G N 4.158 112.850 108.800 -0.180 0.000 2.720 12 G HA2 -0.293 3.667 3.960 0.000 0.000 0.293 12 G HA3 -0.293 3.667 3.960 0.000 0.000 0.293 12 G C 0.541 175.348 174.900 -0.156 0.000 1.256 12 G CA 0.731 45.694 45.100 -0.229 0.000 0.974 12 G HN 0.509 nan 8.290 nan 0.000 0.551 13 Q N 1.500 121.147 119.800 -0.254 0.000 2.171 13 Q HA 0.218 4.558 4.340 0.000 0.000 0.218 13 Q C 0.180 175.868 176.000 -0.519 0.000 0.822 13 Q CA 0.283 55.861 55.803 -0.375 0.000 0.987 13 Q CB 0.777 29.250 28.738 -0.441 0.000 1.144 13 Q HN 0.808 nan 8.270 nan 0.000 0.494 14 H N -0.221 118.814 119.070 -0.059 0.000 2.731 14 H HA 0.428 4.984 4.556 0.000 0.000 0.368 14 H C -0.408 174.888 175.328 -0.054 0.000 1.168 14 H CA -0.418 55.604 56.048 -0.044 0.000 1.181 14 H CB 1.703 31.445 29.762 -0.034 0.000 1.743 14 H HN -0.204 nan 8.280 nan 0.000 0.547 15 T N 2.243 116.827 114.554 0.050 0.000 2.749 15 T HA 0.283 4.633 4.350 0.000 0.000 0.287 15 T C 0.306 174.916 174.700 -0.151 0.000 0.970 15 T CA -0.663 61.396 62.100 -0.069 0.000 0.980 15 T CB 0.806 69.646 68.868 -0.047 0.000 0.924 15 T HN 0.184 nan 8.240 nan 0.000 0.456 16 V N 4.370 124.040 119.914 -0.408 0.000 2.407 16 V HA 0.434 4.554 4.120 0.000 0.000 0.278 16 V C 0.404 176.247 176.094 -0.418 0.000 1.037 16 V CA -0.630 61.383 62.300 -0.479 0.000 0.900 16 V CB 1.315 32.686 31.823 -0.754 0.000 0.983 16 V HN 0.968 nan 8.190 nan 0.000 0.459 17 T N 6.675 121.135 114.554 -0.157 0.000 2.797 17 T HA 0.711 5.061 4.350 0.000 0.000 0.279 17 T C -0.460 174.254 174.700 0.024 0.000 0.991 17 T CA -0.378 61.696 62.100 -0.042 0.000 0.979 17 T CB 1.136 69.996 68.868 -0.014 0.000 0.943 17 T HN 0.354 nan 8.240 nan 0.000 0.444 18 L N 2.677 123.946 121.223 0.077 0.000 2.341 18 L HA 0.675 5.015 4.340 0.000 0.000 0.278 18 L C 0.087 176.999 176.870 0.069 0.000 1.005 18 L CA -0.668 54.223 54.840 0.084 0.000 0.818 18 L CB 1.835 43.967 42.059 0.120 0.000 1.259 18 L HN 0.610 nan 8.230 nan 0.000 0.418 19 E N 1.618 121.856 120.200 0.063 0.000 2.290 19 E HA 0.577 4.927 4.350 0.000 0.000 0.274 19 E C -1.620 175.019 176.600 0.066 0.000 0.889 19 E CA -0.334 56.105 56.400 0.065 0.000 0.760 19 E CB 2.625 32.370 29.700 0.075 0.000 1.206 19 E HN 0.545 nan 8.360 nan 0.000 0.419 20 T N 1.414 116.001 114.554 0.056 0.000 2.853 20 T HA 0.616 4.966 4.350 0.000 0.000 0.311 20 T C 0.297 175.028 174.700 0.051 0.000 1.307 20 T CA 0.630 62.761 62.100 0.052 0.000 1.019 20 T CB 1.356 70.239 68.868 0.025 0.000 1.264 20 T HN 0.795 nan 8.240 nan 0.000 0.497 21 G N 2.017 110.850 108.800 0.056 0.000 2.218 21 G HA2 -0.213 3.747 3.960 0.000 0.000 0.216 21 G HA3 -0.213 3.747 3.960 0.000 0.000 0.216 21 G C 0.714 175.646 174.900 0.053 0.000 0.994 21 G CA 0.779 45.909 45.100 0.049 0.000 0.637 21 G HN 0.768 nan 8.290 nan 0.000 0.505 22 M N -0.270 119.370 119.600 0.067 0.000 2.755 22 M HA 0.576 5.056 4.480 0.000 0.000 0.247 22 M C 1.101 177.446 176.300 0.074 0.000 1.275 22 M CA 0.498 55.833 55.300 0.059 0.000 1.252 22 M CB 0.348 32.978 32.600 0.050 0.000 1.215 22 M HN 0.190 nan 8.290 nan 0.000 0.527 23 M N 1.163 120.835 119.600 0.120 0.000 2.249 23 M HA 0.344 4.824 4.480 0.000 0.000 0.351 23 M C 0.471 176.912 176.300 0.235 0.000 1.180 23 M CA -0.024 55.371 55.300 0.159 0.000 1.127 23 M CB 1.190 33.886 32.600 0.160 0.000 1.546 23 M HN 0.482 nan 8.290 nan 0.000 0.461 24 A N 2.232 125.175 122.820 0.205 0.000 2.466 24 A HA -0.215 4.106 4.320 0.000 0.000 0.295 24 A C 0.988 178.639 177.584 0.111 0.000 1.465 24 A CA 0.876 53.019 52.037 0.177 0.000 0.744 24 A CB -1.337 17.816 19.000 0.254 0.000 1.098 24 A HN 1.011 nan 8.150 nan 0.000 0.402 25 R N -0.558 119.993 120.500 0.084 0.000 2.193 25 R HA -0.092 4.248 4.340 0.000 0.000 0.213 25 R C 2.143 178.478 176.300 0.057 0.000 1.055 25 R CA 1.328 57.467 56.100 0.063 0.000 0.995 25 R CB -0.025 30.306 30.300 0.052 0.000 0.893 25 R HN 0.872 nan 8.270 nan 0.000 0.459 26 Q N 0.743 120.578 119.800 0.058 0.000 2.245 26 Q HA 0.051 4.391 4.340 0.000 0.000 0.201 26 Q C 0.130 176.164 176.000 0.057 0.000 0.955 26 Q CA 0.497 56.331 55.803 0.052 0.000 0.870 26 Q CB 0.286 29.052 28.738 0.047 0.000 0.945 26 Q HN 0.255 nan 8.270 nan 0.000 0.461 27 A N -0.096 122.761 122.820 0.061 0.000 2.287 27 A HA 0.188 4.508 4.320 0.000 0.000 0.273 27 A C 1.171 178.793 177.584 0.063 0.000 1.091 27 A CA 0.196 52.268 52.037 0.058 0.000 0.817 27 A CB 0.447 19.474 19.000 0.045 0.000 1.069 27 A HN 0.463 nan 8.150 nan 0.000 0.492 28 T N -1.564 113.037 114.554 0.077 0.000 2.867 28 T HA 0.330 4.680 4.350 0.000 0.000 0.268 28 T C 0.600 175.333 174.700 0.054 0.000 1.057 28 T CA 1.184 63.347 62.100 0.105 0.000 1.136 28 T CB -0.282 68.690 68.868 0.174 0.000 0.874 28 T HN 1.770 nan 8.240 nan 0.000 0.466 29 A N 0.021 122.845 122.820 0.005 0.000 2.520 29 A HA 0.834 5.154 4.320 0.000 0.000 0.298 29 A C -1.063 176.471 177.584 -0.083 0.000 1.051 29 A CA -0.544 51.468 52.037 -0.041 0.000 0.690 29 A CB 1.510 20.461 19.000 -0.082 0.000 1.281 29 A HN 1.095 nan 8.150 nan 0.000 0.402 30 A N 1.361 124.123 122.820 -0.096 0.000 2.509 30 A HA 0.620 4.940 4.320 0.000 0.000 0.282 30 A C -1.414 176.083 177.584 -0.145 0.000 1.054 30 A CA -0.301 51.625 52.037 -0.186 0.000 0.820 30 A CB 0.923 19.874 19.000 -0.082 0.000 1.333 30 A HN 1.574 nan 8.150 nan 0.000 0.409 31 V N 2.778 122.557 119.914 -0.224 0.000 2.483 31 V HA 0.513 4.633 4.120 0.000 0.000 0.297 31 V C -0.149 175.902 176.094 -0.072 0.000 1.027 31 V CA -0.435 61.806 62.300 -0.099 0.000 0.855 31 V CB 1.635 33.412 31.823 -0.077 0.000 0.995 31 V HN 0.964 nan 8.190 nan 0.000 0.424 32 M N 6.893 126.545 119.600 0.087 0.000 2.201 32 M HA 0.439 4.919 4.480 0.000 0.000 0.345 32 M C -0.933 175.429 176.300 0.104 0.000 1.352 32 M CA 0.149 55.564 55.300 0.192 0.000 1.218 32 M CB 0.471 33.224 32.600 0.254 0.000 1.512 32 M HN 0.422 nan 8.290 nan 0.000 0.447 33 V N 4.724 124.686 119.914 0.079 0.000 2.398 33 V HA 0.738 4.858 4.120 0.000 0.000 0.286 33 V C -0.229 175.894 176.094 0.048 0.000 1.026 33 V CA -0.533 61.797 62.300 0.050 0.000 0.868 33 V CB 1.350 33.191 31.823 0.030 0.000 0.982 33 V HN 0.906 nan 8.190 nan 0.000 0.443 34 S N 4.633 120.348 115.700 0.026 0.000 2.542 34 S HA 0.856 5.326 4.470 0.000 0.000 0.293 34 S C -0.765 173.824 174.600 -0.019 0.000 1.089 34 S CA -0.791 57.417 58.200 0.014 0.000 0.961 34 S CB 2.091 65.303 63.200 0.020 0.000 1.062 34 S HN 0.725 nan 8.310 nan 0.000 0.483 35 M N 2.629 122.217 119.600 -0.020 0.000 2.037 35 M HA 0.315 4.795 4.480 0.000 0.000 0.255 35 M C -1.666 174.610 176.300 -0.040 0.000 0.914 35 M CA 0.149 55.425 55.300 -0.039 0.000 0.986 35 M CB 0.180 32.750 32.600 -0.049 0.000 1.947 35 M HN 0.851 nan 8.290 nan 0.000 0.419 36 D N 3.668 124.071 120.400 0.005 0.000 3.278 36 D HA -0.163 4.477 4.640 0.000 0.000 0.233 36 D C -0.154 176.156 176.300 0.018 0.000 1.149 36 D CA 1.925 55.949 54.000 0.039 0.000 0.957 36 D CB -0.563 40.318 40.800 0.134 0.000 0.913 36 D HN 0.914 nan 8.370 nan 0.000 0.409 37 D N -1.707 118.702 120.400 0.016 0.000 3.006 37 D HA -0.189 4.451 4.640 0.000 0.000 0.208 37 D C -0.167 176.141 176.300 0.013 0.000 1.116 37 D CA 1.822 55.832 54.000 0.017 0.000 0.998 37 D CB -1.286 39.526 40.800 0.021 0.000 1.124 37 D HN 0.471 nan 8.370 nan 0.000 0.413 38 T N 0.310 114.866 114.554 0.004 0.000 2.853 38 T HA 0.673 5.023 4.350 0.000 0.000 0.317 38 T C 0.086 174.797 174.700 0.018 0.000 1.059 38 T CA -0.070 62.033 62.100 0.005 0.000 0.954 38 T CB 1.498 70.358 68.868 -0.013 0.000 0.994 38 T HN 0.285 nan 8.240 nan 0.000 0.479 39 A N 3.226 126.066 122.820 0.034 0.000 2.318 39 A HA 0.780 5.100 4.320 0.000 0.000 0.324 39 A C -0.461 177.167 177.584 0.073 0.000 1.170 39 A CA -0.664 51.406 52.037 0.055 0.000 0.810 39 A CB 0.954 19.992 19.000 0.063 0.000 1.198 39 A HN 0.628 nan 8.150 nan 0.000 0.484 40 V N 2.865 122.834 119.914 0.091 0.000 2.444 40 V HA 0.331 4.451 4.120 0.000 0.000 0.294 40 V C -0.888 175.298 176.094 0.152 0.000 1.022 40 V CA -0.371 61.994 62.300 0.109 0.000 0.850 40 V CB 1.252 33.139 31.823 0.108 0.000 0.992 40 V HN 0.804 nan 8.190 nan 0.000 0.426 41 F N 6.080 126.037 119.950 0.012 0.000 2.421 41 F HA 0.607 5.134 4.527 0.000 0.000 0.358 41 F C -0.108 175.700 175.800 0.013 0.000 1.115 41 F CA -0.231 57.778 58.000 0.015 0.000 1.160 41 F CB 0.986 39.997 39.000 0.018 0.000 1.123 41 F HN 0.266 nan 8.300 nan 0.000 0.508 42 V N 5.029 124.660 119.914 -0.472 0.000 2.448 42 V HA 0.514 4.634 4.120 0.000 0.000 0.295 42 V C -0.335 175.451 176.094 -0.514 0.000 1.025 42 V CA -0.652 61.436 62.300 -0.354 0.000 0.859 42 V CB 1.889 33.609 31.823 -0.172 0.000 0.988 42 V HN 0.831 nan 8.190 nan 0.000 0.431 43 T N 1.521 115.868 114.554 -0.344 0.000 2.876 43 T HA 0.804 5.154 4.350 0.000 0.000 0.289 43 T C -0.874 173.747 174.700 -0.132 0.000 1.014 43 T CA -0.775 61.171 62.100 -0.256 0.000 0.986 43 T CB 1.855 70.615 68.868 -0.181 0.000 1.021 43 T HN 0.286 nan 8.240 nan 0.000 0.458 44 V N 2.790 122.639 119.914 -0.107 0.000 2.487 44 V HA 0.570 4.690 4.120 0.000 0.000 0.298 44 V C -0.503 175.576 176.094 -0.026 0.000 1.028 44 V CA -0.772 61.486 62.300 -0.070 0.000 0.860 44 V CB 1.833 33.594 31.823 -0.104 0.000 0.991 44 V HN 0.906 nan 8.190 nan 0.000 0.427 45 V N 3.769 123.682 119.914 -0.001 0.000 2.378 45 V HA 0.734 4.854 4.120 0.000 0.000 0.288 45 V C 0.600 176.731 176.094 0.061 0.000 1.016 45 V CA -0.370 61.953 62.300 0.039 0.000 0.840 45 V CB 1.719 33.563 31.823 0.037 0.000 0.994 45 V HN 0.945 nan 8.190 nan 0.000 0.431 46 G N 3.226 112.106 108.800 0.133 0.000 2.422 46 G HA2 0.505 4.465 3.960 0.000 0.000 0.317 46 G HA3 0.505 4.465 3.960 0.000 0.000 0.317 46 G C -0.644 174.470 174.900 0.357 0.000 1.210 46 G CA -0.418 44.808 45.100 0.210 0.000 0.930 46 G HN 0.634 nan 8.290 nan 0.000 0.468 47 Q N 1.744 121.697 119.800 0.255 0.000 2.332 47 Q HA 0.164 4.504 4.340 0.000 0.000 0.263 47 Q C 1.127 177.279 176.000 0.253 0.000 0.979 47 Q CA -0.195 55.721 55.803 0.190 0.000 0.885 47 Q CB 0.958 29.744 28.738 0.080 0.000 1.218 47 Q HN 0.593 nan 8.270 nan 0.000 0.405 48 K N 2.151 122.612 120.400 0.102 0.000 2.057 48 K HA -0.115 4.206 4.320 0.000 0.000 0.206 48 K C 0.119 176.723 176.600 0.006 0.000 1.050 48 K CA 1.318 57.584 56.287 -0.036 0.000 0.935 48 K CB 0.075 32.523 32.500 -0.087 0.000 0.715 48 K HN 0.502 nan 8.250 nan 0.000 0.439 49 K N -0.143 120.270 120.400 0.022 0.000 2.318 49 K HA 0.626 4.946 4.320 0.000 0.000 0.249 49 K C -1.251 175.350 176.600 0.002 0.000 0.942 49 K CA -0.946 55.352 56.287 0.017 0.000 0.808 49 K CB 2.322 34.823 32.500 0.001 0.000 1.189 49 K HN -0.126 nan 8.250 nan 0.000 0.428 50 A N 1.536 124.348 122.820 -0.014 0.000 2.282 50 A HA 0.402 4.722 4.320 0.000 0.000 0.319 50 A C -0.535 177.018 177.584 -0.051 0.000 1.121 50 A CA -0.858 51.145 52.037 -0.056 0.000 0.836 50 A CB 0.753 19.700 19.000 -0.088 0.000 1.146 50 A HN 0.556 nan 8.150 nan 0.000 0.494 51 K N 2.073 122.427 120.400 -0.076 0.000 2.401 51 K HA 0.222 4.542 4.320 0.000 0.000 0.278 51 K C -1.631 174.933 176.600 -0.060 0.000 1.018 51 K CA -0.493 55.754 56.287 -0.065 0.000 0.981 51 K CB 0.533 32.984 32.500 -0.081 0.000 0.933 51 K HN 0.735 nan 8.250 nan 0.000 0.477 52 P HA -0.082 nan 4.420 nan 0.000 0.220 52 P C 0.670 177.952 177.300 -0.030 0.000 1.148 52 P CA 1.069 64.153 63.100 -0.027 0.000 0.803 52 P CB 0.170 31.860 31.700 -0.016 0.000 0.782 53 G N 0.553 109.331 108.800 -0.037 0.000 4.420 53 G HA2 0.182 4.142 3.960 0.000 0.000 0.299 53 G HA3 0.182 4.142 3.960 0.000 0.000 0.299 53 G C -0.069 174.792 174.900 -0.065 0.000 1.343 53 G CA -0.124 44.958 45.100 -0.031 0.000 1.272 53 G HN 0.066 nan 8.290 nan 0.000 0.610 54 Q N 0.641 120.376 119.800 -0.108 0.000 2.323 54 Q HA 0.229 4.569 4.340 0.000 0.000 0.271 54 Q C -0.389 175.510 176.000 -0.169 0.000 1.048 54 Q CA -0.531 55.134 55.803 -0.230 0.000 0.792 54 Q CB 2.639 31.178 28.738 -0.331 0.000 1.280 54 Q HN 0.509 nan 8.270 nan 0.000 0.441 55 D N 0.452 120.757 120.400 -0.159 0.000 2.482 55 D HA 0.010 4.650 4.640 0.000 0.000 0.251 55 D C 0.517 176.840 176.300 0.038 0.000 1.073 55 D CA 0.238 54.231 54.000 -0.011 0.000 0.892 55 D CB -0.081 40.766 40.800 0.080 0.000 1.202 55 D HN 0.341 nan 8.370 nan 0.000 0.496 56 F N 0.299 120.264 119.950 0.026 0.000 2.379 56 F HA 0.576 5.103 4.527 0.000 0.000 0.332 56 F C -0.262 175.585 175.800 0.078 0.000 1.096 56 F CA -2.017 56.011 58.000 0.046 0.000 1.105 56 F CB 0.588 39.597 39.000 0.015 0.000 1.189 56 F HN -0.226 nan 8.300 nan 0.000 0.515 57 F N 5.200 125.217 119.950 0.111 0.000 2.421 57 F HA 0.522 5.050 4.527 0.000 0.000 0.358 57 F C -2.505 173.341 175.800 0.078 0.000 1.115 57 F CA -3.382 54.619 58.000 0.001 0.000 1.160 57 F CB 0.338 39.349 39.000 0.019 0.000 1.123 57 F HN 0.297 nan 8.300 nan 0.000 0.508 58 P HA 0.291 nan 4.420 nan 0.000 0.291 58 P C -1.418 175.382 177.300 -0.834 0.000 1.340 58 P CA -0.356 62.467 63.100 -0.462 0.000 0.799 58 P CB 1.521 33.070 31.700 -0.251 0.000 0.917 59 L N 3.281 124.138 121.223 -0.610 0.000 2.345 59 L HA 0.503 4.843 4.340 0.000 0.000 0.274 59 L C -0.459 176.309 176.870 -0.171 0.000 0.999 59 L CA -0.116 54.457 54.840 -0.445 0.000 0.849 59 L CB 1.706 43.578 42.059 -0.313 0.000 1.220 59 L HN 0.304 nan 8.230 nan 0.000 0.422 60 T N 4.857 119.334 114.554 -0.128 0.000 2.772 60 T HA 0.637 4.987 4.350 0.000 0.000 0.288 60 T C -0.968 173.720 174.700 -0.021 0.000 0.994 60 T CA -0.367 61.700 62.100 -0.056 0.000 0.951 60 T CB 0.495 69.334 68.868 -0.048 0.000 0.933 60 T HN 0.316 nan 8.240 nan 0.000 0.447 61 V N 6.765 126.683 119.914 0.007 0.000 2.357 61 V HA 0.501 4.621 4.120 0.000 0.000 0.284 61 V C -0.325 175.798 176.094 0.049 0.000 1.018 61 V CA -1.067 61.252 62.300 0.031 0.000 0.841 61 V CB 1.447 33.298 31.823 0.046 0.000 0.991 61 V HN 0.799 nan 8.190 nan 0.000 0.437 62 N N 3.655 122.388 118.700 0.055 0.000 2.476 62 N HA 0.325 5.065 4.740 0.000 0.000 0.257 62 N C -1.180 174.396 175.510 0.111 0.000 0.970 62 N CA -0.351 52.739 53.050 0.068 0.000 0.938 62 N CB 1.602 40.109 38.487 0.033 0.000 1.144 62 N HN 0.735 nan 8.380 nan 0.000 0.500 63 Y N 2.722 123.022 120.300 -0.000 0.000 2.342 63 Y HA 0.253 4.803 4.550 0.000 0.000 0.338 63 Y C -0.486 175.414 175.900 -0.001 0.000 0.965 63 Y CA -0.717 57.383 58.100 -0.000 0.000 1.159 63 Y CB 0.740 39.199 38.460 -0.002 0.000 1.157 63 Y HN 0.421 nan 8.280 nan 0.000 0.486 64 Q N 4.161 123.696 119.800 -0.442 0.000 2.337 64 Q HA 0.500 4.840 4.340 0.000 0.000 0.270 64 Q C -1.600 174.107 176.000 -0.489 0.000 1.043 64 Q CA -0.981 54.610 55.803 -0.353 0.000 0.794 64 Q CB 2.433 31.076 28.738 -0.159 0.000 1.281 64 Q HN 0.652 nan 8.270 nan 0.000 0.446 65 E N 2.502 122.480 120.200 -0.371 0.000 2.109 65 E HA 0.309 4.660 4.350 0.000 0.000 0.278 65 E C -0.679 175.774 176.600 -0.245 0.000 0.954 65 E CA -0.880 55.335 56.400 -0.309 0.000 0.779 65 E CB 1.211 30.794 29.700 -0.196 0.000 1.093 65 E HN 0.297 nan 8.360 nan 0.000 0.401 66 R N 1.363 121.666 120.500 -0.327 0.000 2.441 66 R HA 0.085 4.425 4.340 0.000 0.000 0.284 66 R C 1.222 177.258 176.300 -0.439 0.000 1.070 66 R CA 0.009 55.826 56.100 -0.471 0.000 1.047 66 R CB 0.813 30.556 30.300 -0.928 0.000 1.016 66 R HN 0.676 nan 8.270 nan 0.000 0.477 67 T N -1.289 113.082 114.554 -0.305 0.000 2.985 67 T HA -0.126 4.225 4.350 0.000 0.000 0.266 67 T C 1.690 176.331 174.700 -0.099 0.000 1.076 67 T CA 0.949 62.963 62.100 -0.143 0.000 1.135 67 T CB -0.327 68.520 68.868 -0.035 0.000 0.890 67 T HN 0.741 nan 8.240 nan 0.000 0.480 68 Y N 0.942 121.235 120.300 -0.010 0.000 2.616 68 Y HA 0.600 5.150 4.550 0.000 0.000 0.296 68 Y C 2.445 178.339 175.900 -0.010 0.000 1.154 68 Y CA -0.338 57.756 58.100 -0.011 0.000 1.325 68 Y CB -0.762 37.689 38.460 -0.015 0.000 1.007 68 Y HN 0.242 nan 8.280 nan 0.000 0.542 69 A N 1.280 124.004 122.820 -0.160 0.000 1.969 69 A HA 0.057 4.377 4.320 0.000 0.000 0.218 69 A C 2.312 179.895 177.584 -0.002 0.000 1.169 69 A CA 1.521 53.519 52.037 -0.065 0.000 0.635 69 A CB -0.945 17.960 19.000 -0.159 0.000 0.810 69 A HN 0.620 nan 8.150 nan 0.000 0.445 70 A N -2.090 120.724 122.820 -0.011 0.000 2.220 70 A HA 0.450 4.770 4.320 0.000 0.000 0.211 70 A C 1.546 179.147 177.584 0.028 0.000 1.176 70 A CA 1.079 53.121 52.037 0.008 0.000 0.834 70 A CB -0.513 18.486 19.000 -0.002 0.000 0.868 70 A HN 1.903 nan 8.150 nan 0.000 0.488 71 G N -0.461 108.369 108.800 0.050 0.000 2.325 71 G HA2 -0.167 3.793 3.960 0.000 0.000 0.248 71 G HA3 -0.167 3.793 3.960 0.000 0.000 0.248 71 G C -0.180 174.748 174.900 0.046 0.000 1.108 71 G CA 0.143 45.279 45.100 0.059 0.000 0.881 71 G HN 0.621 nan 8.290 nan 0.000 0.494 72 R N -1.187 119.342 120.500 0.048 0.000 2.698 72 R HA 0.636 4.976 4.340 0.000 0.000 0.275 72 R C 0.094 176.420 176.300 0.043 0.000 1.001 72 R CA -0.983 55.138 56.100 0.036 0.000 0.896 72 R CB 1.630 31.944 30.300 0.023 0.000 1.218 72 R HN 0.211 nan 8.270 nan 0.000 0.462 73 I N 4.104 124.696 120.570 0.036 0.000 2.371 73 I HA 0.223 4.393 4.170 0.000 0.000 0.290 73 I C -1.612 174.523 176.117 0.031 0.000 1.028 73 I CA -1.848 59.473 61.300 0.036 0.000 1.345 73 I CB 0.846 38.860 38.000 0.024 0.000 1.407 73 I HN 0.309 nan 8.210 nan 0.000 0.501 74 P HA -0.007 nan 4.420 nan 0.000 0.265 74 P C 0.689 178.013 177.300 0.041 0.000 1.187 74 P CA -0.042 63.080 63.100 0.037 0.000 0.766 74 P CB 0.606 32.333 31.700 0.044 0.000 0.820 75 G N 1.352 110.179 108.800 0.046 0.000 3.088 75 G HA2 0.039 4.000 3.960 0.000 0.000 0.212 75 G HA3 0.039 4.000 3.960 0.000 0.000 0.212 75 G C 0.610 175.558 174.900 0.079 0.000 1.173 75 G CA -0.027 45.104 45.100 0.052 0.000 0.779 75 G HN 0.657 nan 8.290 nan 0.000 0.540 76 S N -0.875 114.884 115.700 0.098 0.000 2.624 76 S HA 0.355 4.825 4.470 0.000 0.000 0.263 76 S C 0.980 175.692 174.600 0.187 0.000 1.287 76 S CA -0.641 57.654 58.200 0.159 0.000 0.990 76 S CB 0.963 64.270 63.200 0.177 0.000 0.950 76 S HN 0.098 nan 8.310 nan 0.000 0.561 77 F N 0.407 120.419 119.950 0.104 0.000 2.186 77 F HA 0.098 4.625 4.527 0.000 0.000 0.299 77 F C 1.504 177.292 175.800 -0.020 0.000 1.090 77 F CA 0.965 58.981 58.000 0.028 0.000 1.307 77 F CB -0.375 38.624 39.000 -0.001 0.000 1.019 77 F HN 0.601 nan 8.300 nan 0.000 0.489 78 F N 0.591 120.593 119.950 0.087 0.000 2.407 78 F HA 0.095 4.622 4.527 0.000 0.000 0.299 78 F C 1.022 176.794 175.800 -0.048 0.000 1.097 78 F CA 0.851 58.851 58.000 0.000 0.000 1.422 78 F CB -0.260 38.783 39.000 0.072 0.000 1.067 78 F HN -0.190 nan 8.300 nan 0.000 0.539 79 R N 0.793 121.371 120.500 0.131 0.000 3.267 79 R HA -0.217 4.123 4.340 0.000 0.000 0.254 79 R C -0.100 176.255 176.300 0.092 0.000 0.993 79 R CA 0.391 56.533 56.100 0.070 0.000 0.670 79 R CB -1.770 28.529 30.300 -0.002 0.000 1.125 79 R HN 0.348 nan 8.270 nan 0.000 0.434 80 R N 0.022 120.591 120.500 0.116 0.000 2.668 80 R HA 0.303 4.643 4.340 0.000 0.000 0.272 80 R C -0.939 175.392 176.300 0.052 0.000 1.019 80 R CA 0.249 56.398 56.100 0.083 0.000 0.894 80 R CB 1.466 31.819 30.300 0.088 0.000 1.228 80 R HN 0.206 nan 8.270 nan 0.000 0.460 81 E N 1.386 121.602 120.200 0.028 0.000 2.161 81 E HA 0.233 4.583 4.350 0.000 0.000 0.263 81 E C 0.332 176.926 176.600 -0.011 0.000 1.185 81 E CA 0.357 56.757 56.400 0.001 0.000 0.938 81 E CB 0.380 30.065 29.700 -0.025 0.000 1.023 81 E HN 0.736 nan 8.360 nan 0.000 0.433 82 G N 1.669 110.462 108.800 -0.012 0.000 2.580 82 G HA2 0.320 4.280 3.960 0.000 0.000 0.225 82 G HA3 0.320 4.280 3.960 0.000 0.000 0.225 82 G C 0.302 175.185 174.900 -0.028 0.000 1.521 82 G CA -0.654 44.425 45.100 -0.036 0.000 1.068 82 G HN 0.656 nan 8.290 nan 0.000 0.564 83 R N 1.073 121.557 120.500 -0.027 0.000 2.491 83 R HA 0.210 4.550 4.340 0.000 0.000 0.283 83 R C -1.958 174.344 176.300 0.004 0.000 1.072 83 R CA -1.005 55.087 56.100 -0.013 0.000 1.048 83 R CB 0.306 30.598 30.300 -0.013 0.000 0.983 83 R HN 0.290 nan 8.270 nan 0.000 0.450 84 P HA -0.112 nan 4.420 nan 0.000 0.261 84 P C -0.244 177.080 177.300 0.040 0.000 1.165 84 P CA 0.335 63.453 63.100 0.029 0.000 0.759 84 P CB 0.463 32.190 31.700 0.045 0.000 0.772 85 S N 1.362 117.090 115.700 0.048 0.000 2.625 85 S HA 0.068 4.538 4.470 0.000 0.000 0.262 85 S C 1.328 175.968 174.600 0.066 0.000 1.223 85 S CA -0.391 57.842 58.200 0.055 0.000 0.993 85 S CB 0.633 63.864 63.200 0.053 0.000 1.051 85 S HN 0.584 nan 8.310 nan 0.000 0.562 86 E N 0.386 120.628 120.200 0.071 0.000 2.110 86 E HA -0.082 4.268 4.350 0.000 0.000 0.193 86 E C 1.924 178.564 176.600 0.067 0.000 0.988 86 E CA 1.168 57.614 56.400 0.076 0.000 0.804 86 E CB -0.960 28.794 29.700 0.089 0.000 0.745 86 E HN 0.829 nan 8.360 nan 0.000 0.458 87 G N 0.558 109.399 108.800 0.069 0.000 2.395 87 G HA2 -0.230 3.730 3.960 0.000 0.000 0.214 87 G HA3 -0.230 3.730 3.960 0.000 0.000 0.214 87 G C 1.272 176.228 174.900 0.093 0.000 1.177 87 G CA 0.552 45.693 45.100 0.067 0.000 0.794 87 G HN 0.267 nan 8.290 nan 0.000 0.532 88 E N 0.115 120.395 120.200 0.133 0.000 2.153 88 E HA -0.096 4.254 4.350 0.000 0.000 0.194 88 E C 2.622 179.348 176.600 0.211 0.000 0.988 88 E CA 1.395 57.938 56.400 0.238 0.000 0.811 88 E CB -0.115 29.680 29.700 0.160 0.000 0.746 88 E HN 0.368 nan 8.360 nan 0.000 0.466 89 T N 1.075 115.695 114.554 0.111 0.000 2.951 89 T HA -0.027 4.323 4.350 0.000 0.000 0.268 89 T C 1.920 176.637 174.700 0.029 0.000 1.073 89 T CA 0.486 62.631 62.100 0.074 0.000 1.134 89 T CB -0.007 68.896 68.868 0.059 0.000 0.884 89 T HN 0.076 nan 8.240 nan 0.000 0.479 90 L N 0.081 121.309 121.223 0.008 0.000 2.056 90 L HA 0.014 4.354 4.340 0.000 0.000 0.207 90 L C 2.258 179.068 176.870 -0.101 0.000 1.078 90 L CA 1.041 55.858 54.840 -0.038 0.000 0.749 90 L CB -0.482 41.557 42.059 -0.033 0.000 0.901 90 L HN 0.199 nan 8.230 nan 0.000 0.433 91 I N 0.047 120.509 120.570 -0.180 0.000 2.394 91 I HA -0.228 3.942 4.170 0.000 0.000 0.251 91 I C 2.699 178.612 176.117 -0.341 0.000 1.136 91 I CA 1.254 62.322 61.300 -0.387 0.000 1.425 91 I CB -0.598 36.887 38.000 -0.858 0.000 1.079 91 I HN 0.136 nan 8.210 nan 0.000 0.425 92 A N 0.508 123.219 122.820 -0.182 0.000 1.978 92 A HA -0.207 4.113 4.320 0.000 0.000 0.220 92 A C 2.444 180.009 177.584 -0.032 0.000 1.170 92 A CA 1.574 53.591 52.037 -0.033 0.000 0.636 92 A CB -0.534 18.512 19.000 0.075 0.000 0.810 92 A HN 0.346 nan 8.150 nan 0.000 0.448 93 R N -1.343 119.130 120.500 -0.045 0.000 2.090 93 R HA 0.040 4.380 4.340 0.000 0.000 0.228 93 R C 1.634 177.905 176.300 -0.048 0.000 1.110 93 R CA 0.971 57.050 56.100 -0.035 0.000 0.973 93 R CB -0.355 29.920 30.300 -0.041 0.000 0.869 93 R HN 0.399 nan 8.270 nan 0.000 0.440 94 L N 0.351 121.525 121.223 -0.082 0.000 2.362 94 L HA -0.082 4.258 4.340 0.000 0.000 0.219 94 L C 1.805 178.641 176.870 -0.058 0.000 1.134 94 L CA 1.402 56.194 54.840 -0.080 0.000 0.807 94 L CB -0.025 41.968 42.059 -0.110 0.000 0.927 94 L HN 0.164 nan 8.230 nan 0.000 0.447 95 I N -1.754 118.784 120.570 -0.052 0.000 2.628 95 I HA -0.086 4.084 4.170 0.000 0.000 0.255 95 I C 2.010 178.149 176.117 0.036 0.000 1.119 95 I CA 0.491 61.783 61.300 -0.013 0.000 1.448 95 I CB -0.113 37.877 38.000 -0.017 0.000 1.133 95 I HN 0.109 nan 8.210 nan 0.000 0.438 96 D N 1.333 121.756 120.400 0.038 0.000 2.149 96 D HA -0.127 4.513 4.640 0.000 0.000 0.201 96 D C 2.281 178.637 176.300 0.093 0.000 0.972 96 D CA 1.378 55.425 54.000 0.079 0.000 0.835 96 D CB 0.149 40.984 40.800 0.058 0.000 0.966 96 D HN 0.081 nan 8.370 nan 0.000 0.476 97 R N 0.202 120.731 120.500 0.048 0.000 2.070 97 R HA -0.068 4.273 4.340 0.000 0.000 0.233 97 R C -0.521 175.808 176.300 0.048 0.000 1.137 97 R CA 1.968 58.091 56.100 0.038 0.000 0.945 97 R CB -1.076 29.222 30.300 -0.005 0.000 0.845 97 R HN 0.366 nan 8.270 nan 0.000 0.430 98 P HA -0.091 nan 4.420 nan 0.000 0.224 98 P C 1.245 178.574 177.300 0.048 0.000 1.157 98 P CA 1.215 64.332 63.100 0.028 0.000 0.799 98 P CB -0.080 31.632 31.700 0.019 0.000 0.809 99 I N -3.055 117.592 120.570 0.128 0.000 3.030 99 I HA 0.124 4.294 4.170 0.000 0.000 0.270 99 I C 2.675 178.956 176.117 0.273 0.000 1.211 99 I CA 0.411 61.844 61.300 0.222 0.000 1.479 99 I CB -0.554 37.661 38.000 0.358 0.000 1.105 99 I HN -0.268 nan 8.210 nan 0.000 0.447 100 R N 2.176 122.864 120.500 0.313 0.000 2.073 100 R HA -0.042 4.298 4.340 0.000 0.000 0.234 100 R C -0.339 176.132 176.300 0.286 0.000 1.134 100 R CA 1.923 58.283 56.100 0.433 0.000 0.952 100 R CB -1.181 29.308 30.300 0.314 0.000 0.850 100 R HN 0.354 nan 8.270 nan 0.000 0.433 101 P HA -0.087 nan 4.420 nan 0.000 0.233 101 P C 0.989 178.224 177.300 -0.110 0.000 1.167 101 P CA 0.970 64.079 63.100 0.015 0.000 0.770 101 P CB 0.050 31.746 31.700 -0.006 0.000 0.837 102 L N -1.767 119.302 121.223 -0.256 0.000 2.291 102 L HA 0.021 4.361 4.340 0.000 0.000 0.214 102 L C 1.094 177.577 176.870 -0.644 0.000 1.120 102 L CA 0.327 54.819 54.840 -0.581 0.000 0.799 102 L CB -0.674 40.743 42.059 -1.069 0.000 0.925 102 L HN -0.160 nan 8.230 nan 0.000 0.446 103 F N 1.540 121.272 119.950 -0.364 0.000 2.495 103 F HA 0.153 4.680 4.527 0.000 0.000 0.365 103 F C -1.389 174.177 175.800 -0.390 0.000 1.090 103 F CA -2.355 55.362 58.000 -0.472 0.000 1.235 103 F CB -0.318 38.278 39.000 -0.674 0.000 1.119 103 F HN -0.128 nan 8.300 nan 0.000 0.562 104 P HA -0.045 nan 4.420 nan 0.000 0.269 104 P C -0.639 176.690 177.300 0.048 0.000 1.215 104 P CA -0.348 62.723 63.100 -0.049 0.000 0.780 104 P CB 0.604 32.328 31.700 0.040 0.000 0.898 105 E N 0.590 120.851 120.200 0.103 0.000 2.299 105 E HA 0.294 4.644 4.350 0.000 0.000 0.272 105 E C 0.875 177.618 176.600 0.238 0.000 1.043 105 E CA 0.410 56.888 56.400 0.131 0.000 0.895 105 E CB -0.576 29.186 29.700 0.102 0.000 1.011 105 E HN 0.779 nan 8.360 nan 0.000 0.432 106 G N 4.118 113.064 108.800 0.243 0.000 2.184 106 G HA2 -0.264 3.696 3.960 0.000 0.000 0.206 106 G HA3 -0.264 3.696 3.960 0.000 0.000 0.206 106 G C -0.258 174.930 174.900 0.480 0.000 0.995 106 G CA -0.201 45.092 45.100 0.321 0.000 0.651 106 G HN 0.538 nan 8.290 nan 0.000 0.511 107 F N 2.140 122.188 119.950 0.164 0.000 2.445 107 F HA 0.545 5.072 4.527 0.000 0.000 0.359 107 F C 1.216 177.036 175.800 0.033 0.000 1.101 107 F CA 0.129 58.097 58.000 -0.052 0.000 1.177 107 F CB 1.499 40.183 39.000 -0.526 0.000 1.110 107 F HN -0.065 nan 8.300 nan 0.000 0.522 108 V N 3.383 123.090 119.914 -0.344 0.000 3.635 108 V HA 0.074 4.194 4.120 0.000 0.000 0.266 108 V C 0.403 176.300 176.094 -0.329 0.000 1.316 108 V CA -0.265 61.926 62.300 -0.182 0.000 1.060 108 V CB -0.954 30.806 31.823 -0.105 0.000 0.820 108 V HN 0.623 nan 8.190 nan 0.000 0.447 109 N N 2.306 120.560 118.700 -0.743 0.000 2.412 109 N HA 0.041 4.781 4.740 0.000 0.000 0.258 109 N C 0.077 175.436 175.510 -0.253 0.000 1.236 109 N CA 0.270 53.025 53.050 -0.492 0.000 0.882 109 N CB 0.512 38.681 38.487 -0.529 0.000 1.066 109 N HN 0.490 nan 8.380 nan 0.000 0.465 110 E N 2.156 122.256 120.200 -0.166 0.000 2.290 110 E HA 0.221 4.571 4.350 0.000 0.000 0.277 110 E C -0.906 175.638 176.600 -0.093 0.000 1.035 110 E CA -0.725 55.570 56.400 -0.175 0.000 0.873 110 E CB 0.490 30.104 29.700 -0.144 0.000 1.029 110 E HN 0.365 nan 8.360 nan 0.000 0.419 111 V N 1.610 121.435 119.914 -0.147 0.000 2.735 111 V HA 0.511 4.631 4.120 0.000 0.000 0.310 111 V C -0.792 175.245 176.094 -0.094 0.000 1.061 111 V CA -1.017 61.240 62.300 -0.073 0.000 0.913 111 V CB 1.625 33.436 31.823 -0.021 0.000 1.005 111 V HN 0.764 nan 8.190 nan 0.000 0.428 112 Q N 2.223 121.997 119.800 -0.043 0.000 2.321 112 Q HA 0.715 5.055 4.340 0.000 0.000 0.270 112 Q C -1.902 174.086 176.000 -0.020 0.000 1.032 112 Q CA -0.649 55.133 55.803 -0.035 0.000 0.784 112 Q CB 2.472 31.194 28.738 -0.025 0.000 1.264 112 Q HN 0.823 nan 8.270 nan 0.000 0.448 113 V N 6.243 126.150 119.914 -0.012 0.000 2.328 113 V HA 0.412 4.532 4.120 0.000 0.000 0.278 113 V C -0.320 175.773 176.094 -0.001 0.000 1.021 113 V CA -0.458 61.834 62.300 -0.014 0.000 0.838 113 V CB 1.052 32.875 31.823 -0.000 0.000 0.999 113 V HN 0.697 nan 8.190 nan 0.000 0.447 114 I N 4.502 125.063 120.570 -0.016 0.000 2.330 114 I HA 0.637 4.807 4.170 0.000 0.000 0.286 114 I C 0.465 176.578 176.117 -0.005 0.000 1.025 114 I CA -0.309 60.992 61.300 0.002 0.000 1.197 114 I CB 1.476 39.481 38.000 0.009 0.000 1.358 114 I HN 0.620 nan 8.210 nan 0.000 0.467 115 A N 4.371 127.213 122.820 0.036 0.000 2.273 115 A HA 0.582 4.902 4.320 0.000 0.000 0.320 115 A C -0.057 177.516 177.584 -0.019 0.000 1.358 115 A CA -0.422 51.647 52.037 0.054 0.000 0.910 115 A CB 0.760 19.869 19.000 0.181 0.000 1.159 115 A HN 0.583 nan 8.150 nan 0.000 0.526 116 T N 2.414 116.969 114.554 0.001 0.000 2.771 116 T HA 0.462 4.812 4.350 0.000 0.000 0.281 116 T C -0.387 174.286 174.700 -0.044 0.000 0.982 116 T CA -0.296 61.770 62.100 -0.057 0.000 0.978 116 T CB 0.359 69.247 68.868 0.034 0.000 0.930 116 T HN 0.435 nan 8.240 nan 0.000 0.447 117 V N 6.759 126.567 119.914 -0.175 0.000 2.439 117 V HA 0.193 4.313 4.120 0.000 0.000 0.271 117 V C 1.170 177.191 176.094 -0.122 0.000 1.040 117 V CA 0.030 62.259 62.300 -0.117 0.000 1.002 117 V CB 1.015 32.741 31.823 -0.162 0.000 1.000 117 V HN 0.828 nan 8.190 nan 0.000 0.477 118 V N 4.000 123.899 119.914 -0.024 0.000 3.635 118 V HA 0.334 4.454 4.120 0.000 0.000 0.266 118 V C 0.711 176.834 176.094 0.047 0.000 1.316 118 V CA 1.033 63.348 62.300 0.025 0.000 1.060 118 V CB 1.179 33.068 31.823 0.110 0.000 0.820 118 V HN 0.807 nan 8.190 nan 0.000 0.447 119 S N -0.993 114.721 115.700 0.023 0.000 2.536 119 S HA 0.676 5.146 4.470 0.000 0.000 0.271 119 S C -1.695 172.911 174.600 0.010 0.000 1.134 119 S CA -0.269 57.948 58.200 0.028 0.000 0.897 119 S CB 1.872 65.099 63.200 0.044 0.000 1.094 119 S HN 0.175 nan 8.310 nan 0.000 0.473 120 V N 4.149 124.067 119.914 0.006 0.000 2.760 120 V HA 0.659 4.780 4.120 0.000 0.000 0.309 120 V C -1.227 174.872 176.094 0.008 0.000 1.077 120 V CA -0.715 61.587 62.300 0.004 0.000 0.910 120 V CB 2.131 33.952 31.823 -0.004 0.000 1.008 120 V HN 0.945 nan 8.190 nan 0.000 0.424 121 N N 7.032 125.736 118.700 0.006 0.000 2.421 121 N HA 0.601 5.342 4.740 0.000 0.000 0.285 121 N C -1.803 173.712 175.510 0.008 0.000 1.027 121 N CA -2.139 50.917 53.050 0.009 0.000 0.918 121 N CB 2.325 40.818 38.487 0.010 0.000 1.152 121 N HN 0.435 nan 8.380 nan 0.000 0.485 122 P HA -0.089 nan 4.420 nan 0.000 0.236 122 P C 0.015 177.325 177.300 0.016 0.000 1.172 122 P CA 1.027 64.135 63.100 0.014 0.000 0.759 122 P CB 0.540 32.249 31.700 0.015 0.000 0.843 123 Q N -1.111 118.699 119.800 0.017 0.000 2.477 123 Q HA 0.142 4.482 4.340 0.000 0.000 0.252 123 Q C 0.595 176.597 176.000 0.004 0.000 0.869 123 Q CA 0.550 56.368 55.803 0.024 0.000 0.969 123 Q CB 0.478 29.245 28.738 0.048 0.000 1.144 123 Q HN 0.140 nan 8.270 nan 0.000 0.577 124 V N 3.186 123.082 119.914 -0.030 0.000 2.383 124 V HA 0.228 4.348 4.120 0.000 0.000 0.275 124 V C 0.217 176.277 176.094 -0.057 0.000 1.036 124 V CA -0.824 61.413 62.300 -0.103 0.000 0.889 124 V CB 1.214 32.915 31.823 -0.203 0.000 0.985 124 V HN 0.174 nan 8.190 nan 0.000 0.459 125 N N 6.517 125.188 118.700 -0.047 0.000 2.470 125 N HA 0.196 4.936 4.740 0.000 0.000 0.268 125 N C -1.780 173.729 175.510 -0.003 0.000 1.136 125 N CA -1.460 51.583 53.050 -0.013 0.000 0.961 125 N CB 2.166 40.649 38.487 -0.007 0.000 1.067 125 N HN 0.317 nan 8.380 nan 0.000 0.468 126 P HA -0.060 nan 4.420 nan 0.000 0.230 126 P C 0.613 177.954 177.300 0.069 0.000 1.158 126 P CA 0.624 63.768 63.100 0.073 0.000 0.769 126 P CB 0.243 32.026 31.700 0.137 0.000 0.807 127 D N 0.938 121.340 120.400 0.004 0.000 2.117 127 D HA -0.192 4.448 4.640 0.000 0.000 0.197 127 D C 1.582 177.847 176.300 -0.058 0.000 0.987 127 D CA 1.368 55.312 54.000 -0.094 0.000 0.829 127 D CB -1.290 39.439 40.800 -0.118 0.000 0.961 127 D HN 0.262 nan 8.370 nan 0.000 0.460 128 I N -1.221 119.340 120.570 -0.015 0.000 2.761 128 I HA -0.027 4.143 4.170 0.000 0.000 0.261 128 I C 2.159 178.292 176.117 0.025 0.000 1.198 128 I CA 0.215 61.523 61.300 0.013 0.000 1.482 128 I CB -0.569 37.461 38.000 0.049 0.000 1.100 128 I HN -0.120 nan 8.210 nan 0.000 0.445 129 V N 1.574 121.502 119.914 0.025 0.000 2.453 129 V HA -0.071 4.049 4.120 0.000 0.000 0.247 129 V C 2.911 179.028 176.094 0.039 0.000 1.048 129 V CA 1.669 63.988 62.300 0.031 0.000 1.049 129 V CB -1.242 30.600 31.823 0.031 0.000 0.672 129 V HN 0.565 nan 8.190 nan 0.000 0.457 130 A N -0.507 122.347 122.820 0.056 0.000 1.968 130 A HA -0.115 4.205 4.320 0.000 0.000 0.217 130 A C 2.213 179.810 177.584 0.021 0.000 1.169 130 A CA 1.687 53.769 52.037 0.075 0.000 0.638 130 A CB -0.449 18.653 19.000 0.170 0.000 0.812 130 A HN 0.488 nan 8.150 nan 0.000 0.446 131 M N -0.492 119.105 119.600 -0.005 0.000 2.254 131 M HA -0.048 4.432 4.480 0.000 0.000 0.265 131 M C 1.603 177.896 176.300 -0.013 0.000 1.066 131 M CA 0.946 56.238 55.300 -0.014 0.000 1.123 131 M CB -0.206 32.382 32.600 -0.019 0.000 1.388 131 M HN 0.286 nan 8.290 nan 0.000 0.425 132 I N -0.154 120.410 120.570 -0.009 0.000 2.353 132 I HA -0.086 4.084 4.170 0.000 0.000 0.248 132 I C 2.554 178.657 176.117 -0.023 0.000 1.119 132 I CA 1.326 62.616 61.300 -0.015 0.000 1.417 132 I CB -2.057 35.942 38.000 -0.002 0.000 1.078 132 I HN 0.279 nan 8.210 nan 0.000 0.421 133 G N 0.936 109.726 108.800 -0.018 0.000 2.440 133 G HA2 -0.208 3.752 3.960 0.000 0.000 0.218 133 G HA3 -0.208 3.752 3.960 0.000 0.000 0.218 133 G C 1.825 176.677 174.900 -0.080 0.000 1.154 133 G CA 0.992 46.068 45.100 -0.040 0.000 0.767 133 G HN 0.479 nan 8.290 nan 0.000 0.552 134 A N 0.223 123.000 122.820 -0.071 0.000 1.968 134 A HA 0.114 4.434 4.320 0.000 0.000 0.217 134 A C 2.586 180.065 177.584 -0.175 0.000 1.169 134 A CA 2.035 54.005 52.037 -0.111 0.000 0.638 134 A CB -0.593 18.369 19.000 -0.064 0.000 0.812 134 A HN 0.393 nan 8.150 nan 0.000 0.446 135 S N -0.409 115.224 115.700 -0.112 0.000 2.383 135 S HA 0.020 4.490 4.470 0.000 0.000 0.227 135 S C 2.090 176.612 174.600 -0.129 0.000 1.026 135 S CA 1.407 59.548 58.200 -0.100 0.000 0.981 135 S CB -0.342 62.842 63.200 -0.027 0.000 0.818 135 S HN 0.740 nan 8.310 nan 0.000 0.472 136 A N 0.717 123.473 122.820 -0.106 0.000 1.970 136 A HA 0.425 4.745 4.320 0.000 0.000 0.216 136 A C 2.315 179.821 177.584 -0.129 0.000 1.170 136 A CA 1.400 53.381 52.037 -0.093 0.000 0.645 136 A CB -0.957 18.013 19.000 -0.051 0.000 0.816 136 A HN 0.649 nan 8.150 nan 0.000 0.447 137 A N -0.207 122.512 122.820 -0.167 0.000 1.874 137 A HA 0.112 4.432 4.320 0.000 0.000 0.214 137 A C 2.010 179.445 177.584 -0.247 0.000 1.189 137 A CA 1.178 53.105 52.037 -0.183 0.000 0.615 137 A CB -0.556 18.333 19.000 -0.186 0.000 0.830 137 A HN 0.408 nan 8.150 nan 0.000 0.443 138 L N 0.080 121.063 121.223 -0.401 0.000 2.362 138 L HA -0.104 4.236 4.340 0.000 0.000 0.219 138 L C 2.467 179.027 176.870 -0.517 0.000 1.134 138 L CA 1.037 55.491 54.840 -0.643 0.000 0.807 138 L CB -0.101 41.137 42.059 -1.368 0.000 0.927 138 L HN 0.304 nan 8.230 nan 0.000 0.447 139 S N -0.496 115.017 115.700 -0.311 0.000 2.425 139 S HA 0.068 4.538 4.470 0.000 0.000 0.225 139 S C 1.736 176.277 174.600 -0.097 0.000 1.024 139 S CA 0.616 58.737 58.200 -0.131 0.000 0.951 139 S CB 0.056 63.214 63.200 -0.070 0.000 0.796 139 S HN 0.312 nan 8.310 nan 0.000 0.498 140 L N 1.912 123.073 121.223 -0.103 0.000 2.558 140 L HA 0.087 4.427 4.340 0.000 0.000 0.225 140 L C 2.350 179.195 176.870 -0.043 0.000 1.128 140 L CA 0.412 55.218 54.840 -0.057 0.000 0.868 140 L CB -0.401 41.630 42.059 -0.047 0.000 1.006 140 L HN 0.358 nan 8.230 nan 0.000 0.454 141 S N -0.437 115.208 115.700 -0.091 0.000 2.387 141 S HA -0.012 4.459 4.470 0.000 0.000 0.226 141 S C 1.798 176.388 174.600 -0.018 0.000 1.026 141 S CA 0.949 59.107 58.200 -0.071 0.000 0.972 141 S CB -0.060 63.041 63.200 -0.165 0.000 0.814 141 S HN 0.485 nan 8.310 nan 0.000 0.477 142 G N 1.122 109.873 108.800 -0.081 0.000 2.232 142 G HA2 -0.215 3.746 3.960 0.000 0.000 0.226 142 G HA3 -0.215 3.746 3.960 0.000 0.000 0.226 142 G C 0.092 174.768 174.900 -0.374 0.000 0.996 142 G CA -0.073 45.022 45.100 -0.009 0.000 0.626 142 G HN 0.589 nan 8.290 nan 0.000 0.509 143 I N 3.860 123.960 120.570 -0.783 0.000 2.668 143 I HA 0.188 4.358 4.170 0.000 0.000 0.285 143 I C -1.425 174.368 176.117 -0.540 0.000 1.168 143 I CA -1.446 59.219 61.300 -1.058 0.000 1.424 143 I CB 0.445 37.934 38.000 -0.851 0.000 1.377 143 I HN -0.054 nan 8.210 nan 0.000 0.560 144 P HA -0.108 nan 4.420 nan 0.000 0.247 144 P C -0.821 176.251 177.300 -0.379 0.000 1.141 144 P CA 0.750 63.608 63.100 -0.403 0.000 0.858 144 P CB -0.270 31.085 31.700 -0.576 0.000 0.804 145 F N 4.047 123.727 119.950 -0.450 0.000 2.562 145 F HA 0.329 4.856 4.527 0.000 0.000 0.319 145 F C 0.453 176.034 175.800 -0.364 0.000 1.154 145 F CA -0.953 56.726 58.000 -0.535 0.000 0.931 145 F CB 1.497 40.188 39.000 -0.516 0.000 1.198 145 F HN -0.053 nan 8.300 nan 0.000 0.444 146 N N 3.329 121.539 118.700 -0.817 0.000 2.375 146 N HA 0.183 4.923 4.740 0.000 0.000 0.220 146 N C 0.714 175.905 175.510 -0.531 0.000 1.170 146 N CA 0.226 52.956 53.050 -0.534 0.000 0.833 146 N CB 0.375 38.604 38.487 -0.431 0.000 1.069 146 N HN 0.746 nan 8.380 nan 0.000 0.479 147 G N 0.778 109.227 108.800 -0.586 0.000 2.546 147 G HA2 0.319 4.280 3.960 0.000 0.000 0.239 147 G HA3 0.319 4.280 3.960 0.000 0.000 0.239 147 G C -2.139 172.714 174.900 -0.078 0.000 1.476 147 G CA -0.446 44.506 45.100 -0.248 0.000 1.064 147 G HN 0.100 nan 8.290 nan 0.000 0.561 148 P HA 0.446 nan 4.420 nan 0.000 0.280 148 P C -0.469 176.825 177.300 -0.010 0.000 1.272 148 P CA -0.468 62.664 63.100 0.053 0.000 0.819 148 P CB 1.419 33.121 31.700 0.003 0.000 1.122 149 I N -2.891 117.691 120.570 0.021 0.000 2.863 149 I HA 0.864 5.034 4.170 0.000 0.000 0.311 149 I C 0.140 176.228 176.117 -0.049 0.000 1.026 149 I CA -1.054 60.234 61.300 -0.020 0.000 1.077 149 I CB 1.904 39.909 38.000 0.008 0.000 1.262 149 I HN 0.324 nan 8.210 nan 0.000 0.461 150 G N 1.522 110.281 108.800 -0.067 0.000 2.511 150 G HA2 0.779 4.739 3.960 0.000 0.000 0.318 150 G HA3 0.779 4.739 3.960 0.000 0.000 0.318 150 G C -1.529 173.350 174.900 -0.036 0.000 1.210 150 G CA -0.879 44.168 45.100 -0.089 0.000 0.969 150 G HN 1.005 nan 8.290 nan 0.000 0.484 151 A N -0.552 122.256 122.820 -0.019 0.000 2.374 151 A HA 0.896 5.216 4.320 0.000 0.000 0.305 151 A C -0.302 177.364 177.584 0.136 0.000 1.053 151 A CA -0.165 51.896 52.037 0.041 0.000 0.726 151 A CB 1.567 20.584 19.000 0.029 0.000 1.229 151 A HN 2.073 nan 8.150 nan 0.000 0.431 152 A N 2.327 125.225 122.820 0.130 0.000 2.402 152 A HA 0.721 5.041 4.320 0.000 0.000 0.291 152 A C -0.422 177.231 177.584 0.116 0.000 1.051 152 A CA -0.570 51.570 52.037 0.172 0.000 0.716 152 A CB 0.956 20.057 19.000 0.169 0.000 1.223 152 A HN 0.946 nan 8.150 nan 0.000 0.425 153 R N 2.361 122.925 120.500 0.108 0.000 2.229 153 R HA 0.602 4.942 4.340 0.000 0.000 0.328 153 R C -1.362 175.013 176.300 0.125 0.000 1.009 153 R CA -0.183 55.970 56.100 0.089 0.000 0.864 153 R CB 0.903 31.238 30.300 0.059 0.000 1.085 153 R HN 0.465 nan 8.270 nan 0.000 0.453 154 V N 4.212 124.211 119.914 0.142 0.000 2.459 154 V HA 0.572 4.692 4.120 0.000 0.000 0.295 154 V C 0.761 176.947 176.094 0.154 0.000 1.029 154 V CA -0.581 61.840 62.300 0.202 0.000 0.874 154 V CB 1.550 33.533 31.823 0.266 0.000 0.985 154 V HN 0.982 nan 8.190 nan 0.000 0.438 155 G N 2.073 110.960 108.800 0.146 0.000 2.613 155 G HA2 0.575 4.535 3.960 0.000 0.000 0.303 155 G HA3 0.575 4.535 3.960 0.000 0.000 0.303 155 G C -1.799 173.199 174.900 0.163 0.000 1.312 155 G CA -0.442 44.729 45.100 0.119 0.000 1.036 155 G HN 0.586 nan 8.290 nan 0.000 0.513 156 Y N 0.115 120.382 120.300 -0.056 0.000 2.422 156 Y HA 0.480 5.030 4.550 0.000 0.000 0.344 156 Y C -0.777 175.048 175.900 -0.125 0.000 1.097 156 Y CA -0.770 57.250 58.100 -0.133 0.000 1.307 156 Y CB 0.738 39.125 38.460 -0.123 0.000 1.102 156 Y HN 0.330 nan 8.280 nan 0.000 0.520 157 I N 5.087 125.472 120.570 -0.308 0.000 2.362 157 I HA 0.281 4.451 4.170 0.000 0.000 0.289 157 I C -0.294 175.609 176.117 -0.355 0.000 0.994 157 I CA -0.860 60.295 61.300 -0.242 0.000 1.158 157 I CB 1.270 39.187 38.000 -0.140 0.000 1.315 157 I HN 0.569 nan 8.210 nan 0.000 0.451 158 N N 4.473 122.999 118.700 -0.290 0.000 2.725 158 N HA -0.242 4.498 4.740 0.000 0.000 0.251 158 N C 0.255 175.532 175.510 -0.389 0.000 1.031 158 N CA 1.527 54.420 53.050 -0.262 0.000 0.720 158 N CB -1.436 36.943 38.487 -0.179 0.000 0.930 158 N HN 1.032 nan 8.380 nan 0.000 0.543 159 D N -1.853 118.171 120.400 -0.627 0.000 2.723 159 D HA -0.208 4.432 4.640 0.000 0.000 0.236 159 D C -0.028 175.759 176.300 -0.854 0.000 1.138 159 D CA 1.849 55.385 54.000 -0.773 0.000 0.676 159 D CB -1.570 39.068 40.800 -0.270 0.000 1.069 159 D HN 0.707 nan 8.370 nan 0.000 0.430 160 Q N -1.469 117.675 119.800 -1.093 0.000 2.309 160 Q HA 0.603 4.943 4.340 0.000 0.000 0.273 160 Q C -1.327 174.207 176.000 -0.776 0.000 1.040 160 Q CA -0.747 54.602 55.803 -0.757 0.000 0.834 160 Q CB 1.405 29.901 28.738 -0.403 0.000 1.345 160 Q HN 0.479 nan 8.270 nan 0.000 0.414 161 Y N 1.598 121.611 120.300 -0.478 0.000 2.402 161 Y HA 0.478 5.028 4.550 0.000 0.000 0.333 161 Y C -0.035 175.491 175.900 -0.623 0.000 1.076 161 Y CA -0.516 57.191 58.100 -0.654 0.000 1.299 161 Y CB 0.892 38.573 38.460 -1.299 0.000 1.197 161 Y HN 0.265 nan 8.280 nan 0.000 0.517 162 V N 5.427 125.252 119.914 -0.148 0.000 2.495 162 V HA 0.249 4.369 4.120 0.000 0.000 0.298 162 V C -0.502 175.725 176.094 0.222 0.000 1.031 162 V CA -0.966 61.354 62.300 0.034 0.000 0.871 162 V CB 1.699 33.524 31.823 0.004 0.000 0.988 162 V HN 0.535 nan 8.190 nan 0.000 0.432 163 L N 5.578 126.996 121.223 0.326 0.000 2.290 163 L HA 0.519 4.859 4.340 0.000 0.000 0.284 163 L C 0.499 177.423 176.870 0.090 0.000 1.078 163 L CA 0.461 55.451 54.840 0.251 0.000 0.815 163 L CB 0.173 42.304 42.059 0.120 0.000 1.162 163 L HN 0.770 nan 8.230 nan 0.000 0.435 164 N N 3.702 122.448 118.700 0.078 0.000 2.614 164 N HA -0.144 4.596 4.740 0.000 0.000 0.276 164 N C -2.462 173.112 175.510 0.108 0.000 1.119 164 N CA 0.549 53.643 53.050 0.072 0.000 0.742 164 N CB -1.078 37.440 38.487 0.050 0.000 0.900 164 N HN 0.482 nan 8.380 nan 0.000 0.549 165 P HA 0.145 nan 4.420 nan 0.000 0.279 165 P C 0.461 177.802 177.300 0.068 0.000 1.239 165 P CA -0.188 62.955 63.100 0.072 0.000 0.789 165 P CB 0.716 32.448 31.700 0.054 0.000 0.933 166 T N -0.761 113.835 114.554 0.071 0.000 2.754 166 T HA 0.048 4.398 4.350 0.000 0.000 0.286 166 T C 1.322 176.044 174.700 0.036 0.000 0.997 166 T CA -0.112 62.023 62.100 0.059 0.000 0.982 166 T CB 0.298 69.207 68.868 0.067 0.000 1.027 166 T HN 0.245 nan 8.240 nan 0.000 0.529 167 Q N -0.005 119.812 119.800 0.028 0.000 2.226 167 Q HA -0.093 4.247 4.340 0.000 0.000 0.204 167 Q C 1.525 177.537 176.000 0.020 0.000 0.975 167 Q CA 1.724 57.540 55.803 0.022 0.000 0.866 167 Q CB -0.423 28.326 28.738 0.019 0.000 0.915 167 Q HN 0.714 nan 8.270 nan 0.000 0.440 168 D N -0.599 119.813 120.400 0.020 0.000 2.213 168 D HA -0.073 4.567 4.640 0.000 0.000 0.205 168 D C 1.234 177.542 176.300 0.013 0.000 0.961 168 D CA 0.746 54.755 54.000 0.015 0.000 0.853 168 D CB 0.069 40.877 40.800 0.014 0.000 0.967 168 D HN 0.422 nan 8.370 nan 0.000 0.496 169 E N 0.043 120.253 120.200 0.017 0.000 2.208 169 E HA -0.070 4.280 4.350 0.000 0.000 0.193 169 E C 1.834 178.442 176.600 0.014 0.000 0.988 169 E CA 0.084 56.491 56.400 0.013 0.000 0.828 169 E CB 0.128 29.839 29.700 0.018 0.000 0.763 169 E HN 0.080 nan 8.360 nan 0.000 0.478 170 L N 1.375 122.609 121.223 0.020 0.000 2.217 170 L HA -0.101 4.239 4.340 0.000 0.000 0.211 170 L C 2.095 178.975 176.870 0.015 0.000 1.107 170 L CA 1.506 56.359 54.840 0.021 0.000 0.783 170 L CB -0.044 42.028 42.059 0.022 0.000 0.919 170 L HN -0.118 nan 8.230 nan 0.000 0.442 171 K N -0.889 119.518 120.400 0.012 0.000 2.148 171 K HA -0.119 4.201 4.320 0.000 0.000 0.204 171 K C 1.652 178.255 176.600 0.005 0.000 1.050 171 K CA 1.072 57.364 56.287 0.008 0.000 0.942 171 K CB 0.158 32.663 32.500 0.008 0.000 0.724 171 K HN 0.279 nan 8.250 nan 0.000 0.446 172 E N 0.370 120.572 120.200 0.003 0.000 2.385 172 E HA -0.006 4.344 4.350 0.000 0.000 0.194 172 E C 0.414 177.014 176.600 -0.001 0.000 1.013 172 E CA 0.074 56.472 56.400 -0.003 0.000 0.866 172 E CB 0.452 30.146 29.700 -0.011 0.000 0.832 172 E HN 0.083 nan 8.360 nan 0.000 0.500 173 S N 0.439 116.145 115.700 0.010 0.000 2.593 173 S HA 0.057 4.527 4.470 0.000 0.000 0.269 173 S C 0.914 175.540 174.600 0.043 0.000 1.334 173 S CA -0.121 58.095 58.200 0.027 0.000 1.015 173 S CB 1.466 64.688 63.200 0.037 0.000 0.912 173 S HN -0.063 nan 8.310 nan 0.000 0.541 174 K N 2.160 122.614 120.400 0.089 0.000 2.355 174 K HA 0.387 4.707 4.320 0.000 0.000 0.198 174 K C -0.153 176.472 176.600 0.041 0.000 1.039 174 K CA -0.113 56.222 56.287 0.080 0.000 1.075 174 K CB -0.267 32.323 32.500 0.150 0.000 0.870 174 K HN 0.608 nan 8.250 nan 0.000 0.540 175 L N 0.735 122.001 121.223 0.070 0.000 2.381 175 L HA 0.622 4.962 4.340 0.000 0.000 0.268 175 L C -1.903 174.990 176.870 0.038 0.000 0.997 175 L CA -0.302 54.555 54.840 0.029 0.000 0.818 175 L CB 2.449 44.537 42.059 0.048 0.000 1.310 175 L HN -0.012 nan 8.230 nan 0.000 0.416 176 D N 4.234 124.641 120.400 0.011 0.000 2.336 176 D HA 0.498 5.138 4.640 0.000 0.000 0.248 176 D C -1.777 174.522 176.300 -0.002 0.000 1.326 176 D CA -0.163 53.845 54.000 0.012 0.000 0.973 176 D CB 0.978 41.778 40.800 0.001 0.000 1.255 176 D HN 0.484 nan 8.370 nan 0.000 0.558 177 L N 0.776 122.008 121.223 0.015 0.000 2.393 177 L HA 0.852 5.193 4.340 0.000 0.000 0.260 177 L C -1.489 175.390 176.870 0.015 0.000 1.002 177 L CA -1.052 53.789 54.840 0.001 0.000 0.818 177 L CB 1.981 44.038 42.059 -0.003 0.000 1.369 177 L HN -0.042 nan 8.230 nan 0.000 0.412 178 V N 2.164 122.074 119.914 -0.005 0.000 2.409 178 V HA 0.697 4.817 4.120 0.000 0.000 0.291 178 V C -0.446 175.648 176.094 -0.001 0.000 1.020 178 V CA -0.606 61.695 62.300 0.003 0.000 0.848 178 V CB 1.642 33.454 31.823 -0.018 0.000 0.990 178 V HN 0.722 nan 8.190 nan 0.000 0.430 179 V N 4.583 124.512 119.914 0.024 0.000 2.555 179 V HA 0.964 5.084 4.120 0.000 0.000 0.302 179 V C -0.042 176.072 176.094 0.034 0.000 1.038 179 V CA -0.107 62.209 62.300 0.025 0.000 0.887 179 V CB 1.840 33.692 31.823 0.048 0.000 0.991 179 V HN 1.110 nan 8.190 nan 0.000 0.434 180 A N 4.216 127.051 122.820 0.027 0.000 2.422 180 A HA 1.022 5.342 4.320 0.000 0.000 0.302 180 A C -0.217 177.397 177.584 0.051 0.000 1.041 180 A CA 0.075 52.129 52.037 0.028 0.000 0.708 180 A CB 1.871 20.875 19.000 0.008 0.000 1.257 180 A HN 1.798 nan 8.150 nan 0.000 0.414 181 G N -0.002 108.837 108.800 0.065 0.000 2.547 181 G HA2 0.644 4.604 3.960 0.000 0.000 0.291 181 G HA3 0.644 4.604 3.960 0.000 0.000 0.291 181 G C -0.275 174.650 174.900 0.042 0.000 1.471 181 G CA 0.284 45.447 45.100 0.104 0.000 0.798 181 G HN 1.336 nan 8.290 nan 0.000 0.504 182 T N -2.141 112.437 114.554 0.040 0.000 2.833 182 T HA 0.351 4.702 4.350 0.000 0.000 0.312 182 T C 1.275 175.958 174.700 -0.028 0.000 1.085 182 T CA 0.571 62.656 62.100 -0.026 0.000 0.955 182 T CB 1.205 70.036 68.868 -0.062 0.000 1.353 182 T HN 0.630 nan 8.240 nan 0.000 0.544 183 E N -0.019 120.144 120.200 -0.061 0.000 2.204 183 E HA 0.001 4.351 4.350 0.000 0.000 0.194 183 E C 1.471 178.070 176.600 -0.002 0.000 0.989 183 E CA 0.765 57.120 56.400 -0.074 0.000 0.824 183 E CB -0.332 29.323 29.700 -0.076 0.000 0.756 183 E HN 0.722 nan 8.360 nan 0.000 0.477 184 A N -0.236 122.606 122.820 0.037 0.000 2.631 184 A HA 0.677 4.997 4.320 0.000 0.000 0.294 184 A C -0.002 177.626 177.584 0.073 0.000 1.156 184 A CA 0.291 52.365 52.037 0.062 0.000 0.963 184 A CB 0.551 19.553 19.000 0.004 0.000 1.202 184 A HN 0.256 nan 8.150 nan 0.000 0.523 185 A N -1.500 121.426 122.820 0.177 0.000 2.462 185 A HA 0.621 4.941 4.320 0.000 0.000 0.299 185 A C -0.750 176.826 177.584 -0.013 0.000 1.047 185 A CA 0.147 52.170 52.037 -0.023 0.000 0.581 185 A CB -0.247 18.724 19.000 -0.048 0.000 1.466 185 A HN 1.078 nan 8.150 nan 0.000 0.616 186 V N -2.452 117.385 119.914 -0.128 0.000 3.285 186 V HA 0.831 4.952 4.120 0.000 0.000 0.302 186 V C 0.708 176.781 176.094 -0.035 0.000 1.247 186 V CA -0.268 61.989 62.300 -0.072 0.000 1.035 186 V CB 1.313 33.056 31.823 -0.132 0.000 1.223 186 V HN 1.161 nan 8.190 nan 0.000 0.475 187 L N -1.360 119.846 121.223 -0.029 0.000 4.483 187 L HA 0.280 4.620 4.340 0.000 0.000 0.473 187 L C -0.193 176.658 176.870 -0.032 0.000 0.848 187 L CA 0.302 55.124 54.840 -0.030 0.000 1.991 187 L CB 0.697 42.739 42.059 -0.029 0.000 2.326 187 L HN 0.681 nan 8.230 nan 0.000 0.589 188 M N 0.372 119.952 119.600 -0.033 0.000 2.813 188 M HA 0.655 5.135 4.480 0.000 0.000 0.270 188 M C -2.030 174.233 176.300 -0.061 0.000 1.267 188 M CA -0.473 54.797 55.300 -0.050 0.000 0.822 188 M CB 3.115 35.692 32.600 -0.039 0.000 1.671 188 M HN -0.266 nan 8.290 nan 0.000 0.468 189 V N 2.193 122.056 119.914 -0.086 0.000 3.384 189 V HA 0.131 4.251 4.120 0.000 0.000 0.242 189 V C -1.512 174.507 176.094 -0.125 0.000 1.285 189 V CA -0.556 61.682 62.300 -0.103 0.000 0.991 189 V CB 1.332 33.068 31.823 -0.144 0.000 1.021 189 V HN 0.868 nan 8.190 nan 0.000 0.491 190 E N 3.371 123.513 120.200 -0.097 0.000 2.261 190 E HA 0.688 5.038 4.350 0.000 0.000 0.239 190 E C 0.435 176.979 176.600 -0.094 0.000 0.991 190 E CA 0.445 56.781 56.400 -0.106 0.000 0.847 190 E CB 0.885 30.530 29.700 -0.092 0.000 1.223 190 E HN 0.925 nan 8.360 nan 0.000 0.446 191 S N 3.245 118.878 115.700 -0.113 0.000 2.523 191 S HA 0.379 4.849 4.470 0.000 0.000 0.275 191 S C 0.315 174.858 174.600 -0.095 0.000 1.281 191 S CA -0.352 57.790 58.200 -0.097 0.000 1.050 191 S CB 0.502 63.634 63.200 -0.113 0.000 0.937 191 S HN 0.373 nan 8.310 nan 0.000 0.492 192 E N 2.036 122.190 120.200 -0.077 0.000 3.554 192 E HA 0.450 4.801 4.350 0.000 0.000 0.286 192 E C -0.305 176.256 176.600 -0.064 0.000 1.173 192 E CA -0.284 56.070 56.400 -0.077 0.000 1.117 192 E CB 0.132 29.787 29.700 -0.075 0.000 1.323 192 E HN 0.774 nan 8.360 nan 0.000 0.394 193 A N 0.994 123.772 122.820 -0.069 0.000 2.829 193 A HA 0.520 4.840 4.320 0.000 0.000 0.248 193 A C 0.238 177.781 177.584 -0.068 0.000 1.654 193 A CA -0.287 51.711 52.037 -0.065 0.000 0.860 193 A CB 0.471 19.415 19.000 -0.093 0.000 1.696 193 A HN 0.332 nan 8.150 nan 0.000 0.576 194 Q N 0.052 119.812 119.800 -0.066 0.000 2.788 194 Q HA 0.515 4.855 4.340 0.000 0.000 0.278 194 Q C -1.419 174.543 176.000 -0.064 0.000 1.126 194 Q CA -0.274 55.493 55.803 -0.059 0.000 1.017 194 Q CB 0.311 29.025 28.738 -0.040 0.000 1.219 194 Q HN 0.526 nan 8.270 nan 0.000 0.503 195 L N 1.801 122.983 121.223 -0.069 0.000 3.634 195 L HA -0.255 4.085 4.340 0.000 0.000 0.647 195 L C -0.931 175.895 176.870 -0.073 0.000 1.199 195 L CA 0.251 55.053 54.840 -0.063 0.000 1.027 195 L CB -1.177 40.852 42.059 -0.050 0.000 1.511 195 L HN 0.588 nan 8.230 nan 0.000 0.855 196 L N 0.447 121.613 121.223 -0.095 0.000 2.334 196 L HA 0.566 4.906 4.340 0.000 0.000 0.272 196 L C 1.065 177.886 176.870 -0.083 0.000 1.020 196 L CA -0.352 54.415 54.840 -0.121 0.000 0.812 196 L CB 2.042 43.972 42.059 -0.215 0.000 1.264 196 L HN 0.553 nan 8.230 nan 0.000 0.439 197 S N 0.509 116.168 115.700 -0.069 0.000 2.612 197 S HA 0.045 4.515 4.470 0.000 0.000 0.253 197 S C 0.760 175.346 174.600 -0.023 0.000 1.346 197 S CA -0.378 57.802 58.200 -0.033 0.000 0.976 197 S CB 0.708 63.898 63.200 -0.017 0.000 0.949 197 S HN 0.638 nan 8.310 nan 0.000 0.584 198 E N 0.635 120.835 120.200 0.000 0.000 2.072 198 E HA -0.064 4.286 4.350 0.000 0.000 0.191 198 E C 1.459 178.073 176.600 0.023 0.000 0.985 198 E CA 1.447 57.856 56.400 0.016 0.000 0.801 198 E CB -0.245 29.470 29.700 0.025 0.000 0.750 198 E HN 0.633 nan 8.360 nan 0.000 0.452 199 D N 0.203 120.619 120.400 0.027 0.000 2.183 199 D HA -0.100 4.540 4.640 0.000 0.000 0.203 199 D C 1.752 178.097 176.300 0.074 0.000 0.969 199 D CA 0.787 54.816 54.000 0.048 0.000 0.842 199 D CB -0.088 40.743 40.800 0.052 0.000 0.957 199 D HN 0.242 nan 8.370 nan 0.000 0.484 200 Q N -0.603 119.224 119.800 0.046 0.000 2.172 200 Q HA 0.017 4.357 4.340 0.000 0.000 0.200 200 Q C 2.050 178.070 176.000 0.034 0.000 0.964 200 Q CA 0.655 56.485 55.803 0.045 0.000 0.855 200 Q CB 0.108 28.755 28.738 -0.151 0.000 0.918 200 Q HN 0.197 nan 8.270 nan 0.000 0.444 201 M N -0.013 119.577 119.600 -0.016 0.000 2.200 201 M HA -0.083 4.397 4.480 0.000 0.000 0.265 201 M C 2.098 178.397 176.300 -0.002 0.000 1.066 201 M CA 0.933 56.219 55.300 -0.023 0.000 1.127 201 M CB -0.487 32.093 32.600 -0.034 0.000 1.379 201 M HN 0.263 nan 8.290 nan 0.000 0.420 202 L N 0.229 121.463 121.223 0.017 0.000 2.072 202 L HA 0.070 4.410 4.340 0.000 0.000 0.205 202 L C 2.248 179.109 176.870 -0.016 0.000 1.079 202 L CA 1.886 56.734 54.840 0.014 0.000 0.752 202 L CB -1.210 40.867 42.059 0.030 0.000 0.906 202 L HN 0.263 nan 8.230 nan 0.000 0.436 203 G N -1.166 107.626 108.800 -0.012 0.000 2.443 203 G HA2 -0.163 3.797 3.960 0.000 0.000 0.219 203 G HA3 -0.163 3.797 3.960 0.000 0.000 0.219 203 G C 1.536 176.192 174.900 -0.407 0.000 1.131 203 G CA 0.635 45.660 45.100 -0.126 0.000 0.775 203 G HN 0.600 nan 8.290 nan 0.000 0.547 204 A N 0.132 122.786 122.820 -0.276 0.000 1.968 204 A HA 0.191 4.511 4.320 0.000 0.000 0.217 204 A C 2.515 180.073 177.584 -0.043 0.000 1.169 204 A CA 1.471 53.379 52.037 -0.215 0.000 0.638 204 A CB -0.293 18.744 19.000 0.062 0.000 0.812 204 A HN 0.219 nan 8.150 nan 0.000 0.446 205 V N -0.438 119.455 119.914 -0.035 0.000 2.379 205 V HA -0.174 3.946 4.120 0.000 0.000 0.245 205 V C 2.512 178.615 176.094 0.014 0.000 1.044 205 V CA 1.808 64.104 62.300 -0.006 0.000 1.036 205 V CB -0.636 31.168 31.823 -0.033 0.000 0.664 205 V HN 0.353 nan 8.190 nan 0.000 0.453 206 V N -0.498 119.408 119.914 -0.013 0.000 2.427 206 V HA -0.231 3.890 4.120 0.000 0.000 0.248 206 V C 2.162 178.284 176.094 0.047 0.000 1.051 206 V CA 2.183 64.490 62.300 0.012 0.000 1.048 206 V CB -0.750 31.065 31.823 -0.012 0.000 0.666 206 V HN 0.552 nan 8.190 nan 0.000 0.456 207 F N 2.137 121.990 119.950 -0.161 0.000 2.095 207 F HA -0.082 4.445 4.527 0.000 0.000 0.298 207 F C 2.206 177.987 175.800 -0.033 0.000 1.104 207 F CA 1.894 59.806 58.000 -0.147 0.000 1.232 207 F CB -0.794 38.008 39.000 -0.331 0.000 0.987 207 F HN 0.145 nan 8.300 nan 0.000 0.475 208 G N -1.254 107.591 108.800 0.075 0.000 2.408 208 G HA2 -0.282 3.678 3.960 0.000 0.000 0.217 208 G HA3 -0.282 3.678 3.960 0.000 0.000 0.217 208 G C 1.776 176.679 174.900 0.005 0.000 1.150 208 G CA 0.901 46.021 45.100 0.033 0.000 0.776 208 G HN 0.551 nan 8.290 nan 0.000 0.542 209 H N 0.456 119.494 119.070 -0.053 0.000 2.423 209 H HA 0.044 4.600 4.556 0.000 0.000 0.297 209 H C 2.230 177.514 175.328 -0.075 0.000 1.075 209 H CA 1.575 57.591 56.048 -0.053 0.000 1.342 209 H CB 0.145 29.879 29.762 -0.045 0.000 1.395 209 H HN 0.503 nan 8.280 nan 0.000 0.530 210 E N -0.327 119.824 120.200 -0.082 0.000 2.158 210 E HA -0.098 4.252 4.350 0.000 0.000 0.191 210 E C 2.084 178.573 176.600 -0.185 0.000 0.982 210 E CA 0.219 56.538 56.400 -0.135 0.000 0.823 210 E CB 0.382 30.028 29.700 -0.089 0.000 0.766 210 E HN 0.429 nan 8.360 nan 0.000 0.468 211 Q N 0.095 119.752 119.800 -0.238 0.000 2.212 211 Q HA -0.125 4.215 4.340 0.000 0.000 0.199 211 Q C 1.878 177.918 176.000 0.066 0.000 0.950 211 Q CA 0.994 56.694 55.803 -0.170 0.000 0.863 211 Q CB 0.123 28.642 28.738 -0.366 0.000 0.944 211 Q HN 0.531 nan 8.270 nan 0.000 0.465 212 Q N -0.403 119.406 119.800 0.016 0.000 2.482 212 Q HA -0.029 4.311 4.340 0.000 0.000 0.209 212 Q C 1.406 177.315 176.000 -0.152 0.000 0.961 212 Q CA 0.291 56.090 55.803 -0.008 0.000 0.945 212 Q CB 0.125 28.841 28.738 -0.037 0.000 1.012 212 Q HN 0.135 nan 8.270 nan 0.000 0.515 213 Q N 0.753 120.461 119.800 -0.154 0.000 2.124 213 Q HA -0.107 4.233 4.340 0.000 0.000 0.202 213 Q C 2.177 178.079 176.000 -0.163 0.000 0.977 213 Q CA 1.364 57.060 55.803 -0.179 0.000 0.850 213 Q CB -0.310 28.332 28.738 -0.161 0.000 0.901 213 Q HN 0.390 nan 8.270 nan 0.000 0.429 214 V N 0.620 120.467 119.914 -0.111 0.000 2.594 214 V HA -0.177 3.943 4.120 0.000 0.000 0.253 214 V C 2.138 178.043 176.094 -0.315 0.000 1.069 214 V CA 1.107 63.331 62.300 -0.127 0.000 1.082 214 V CB -0.129 31.715 31.823 0.035 0.000 0.680 214 V HN 0.116 nan 8.190 nan 0.000 0.469 215 V N 0.008 119.722 119.914 -0.334 0.000 2.379 215 V HA -0.178 3.942 4.120 0.000 0.000 0.245 215 V C 2.209 178.079 176.094 -0.373 0.000 1.044 215 V CA 2.153 64.194 62.300 -0.431 0.000 1.036 215 V CB -0.515 31.093 31.823 -0.357 0.000 0.664 215 V HN 0.491 nan 8.190 nan 0.000 0.453 216 I N 0.036 120.445 120.570 -0.269 0.000 2.208 216 I HA -0.313 3.857 4.170 0.000 0.000 0.245 216 I C 2.690 178.683 176.117 -0.207 0.000 1.097 216 I CA 1.657 62.835 61.300 -0.204 0.000 1.363 216 I CB -0.483 37.414 38.000 -0.171 0.000 1.051 216 I HN 0.351 nan 8.210 nan 0.000 0.413 217 Q N 0.458 120.119 119.800 -0.232 0.000 2.124 217 Q HA -0.162 4.178 4.340 0.000 0.000 0.202 217 Q C 1.974 177.824 176.000 -0.250 0.000 0.977 217 Q CA 1.240 56.919 55.803 -0.208 0.000 0.850 217 Q CB -0.192 28.435 28.738 -0.185 0.000 0.901 217 Q HN 0.534 nan 8.270 nan 0.000 0.429 218 N N 0.427 118.884 118.700 -0.406 0.000 2.331 218 N HA -0.055 4.685 4.740 0.000 0.000 0.180 218 N C 1.725 177.072 175.510 -0.271 0.000 1.019 218 N CA 0.875 53.653 53.050 -0.455 0.000 0.881 218 N CB 0.113 37.975 38.487 -1.040 0.000 0.972 218 N HN 0.281 nan 8.380 nan 0.000 0.435 219 I N 1.142 121.573 120.570 -0.231 0.000 2.353 219 I HA -0.155 4.015 4.170 0.000 0.000 0.248 219 I C 1.764 177.821 176.117 -0.100 0.000 1.119 219 I CA 0.627 61.850 61.300 -0.128 0.000 1.417 219 I CB -0.193 37.742 38.000 -0.108 0.000 1.078 219 I HN 0.011 nan 8.210 nan 0.000 0.421 220 N N 0.798 119.431 118.700 -0.111 0.000 2.223 220 N HA -0.158 4.583 4.740 0.000 0.000 0.185 220 N C 1.687 177.154 175.510 -0.071 0.000 1.016 220 N CA 1.107 54.107 53.050 -0.083 0.000 0.863 220 N CB -0.146 38.289 38.487 -0.087 0.000 0.983 220 N HN 0.366 nan 8.380 nan 0.000 0.429 221 E N 0.846 120.995 120.200 -0.086 0.000 2.208 221 E HA -0.012 4.338 4.350 0.000 0.000 0.193 221 E C 2.095 178.669 176.600 -0.045 0.000 0.988 221 E CA 0.026 56.387 56.400 -0.065 0.000 0.828 221 E CB -0.112 29.542 29.700 -0.077 0.000 0.763 221 E HN 0.373 nan 8.360 nan 0.000 0.478 222 L N 0.423 121.617 121.223 -0.048 0.000 2.109 222 L HA -0.114 4.226 4.340 0.000 0.000 0.207 222 L C 2.198 179.055 176.870 -0.021 0.000 1.086 222 L CA 0.547 55.371 54.840 -0.026 0.000 0.760 222 L CB 0.059 42.103 42.059 -0.024 0.000 0.910 222 L HN -0.036 nan 8.230 nan 0.000 0.437 223 V N -0.179 119.718 119.914 -0.028 0.000 2.427 223 V HA -0.298 3.822 4.120 0.000 0.000 0.248 223 V C 2.410 178.497 176.094 -0.011 0.000 1.051 223 V CA 1.889 64.177 62.300 -0.019 0.000 1.048 223 V CB -0.559 31.250 31.823 -0.024 0.000 0.666 223 V HN 0.441 nan 8.190 nan 0.000 0.456 224 K N 0.007 120.397 120.400 -0.016 0.000 2.155 224 K HA -0.191 4.129 4.320 0.000 0.000 0.203 224 K C 2.185 178.782 176.600 -0.005 0.000 1.052 224 K CA 1.558 57.839 56.287 -0.011 0.000 0.948 224 K CB 0.068 32.557 32.500 -0.017 0.000 0.728 224 K HN 0.604 nan 8.250 nan 0.000 0.448 225 E N -0.526 119.670 120.200 -0.006 0.000 2.033 225 E HA -0.037 4.313 4.350 0.000 0.000 0.189 225 E C -0.327 176.277 176.600 0.006 0.000 0.979 225 E CA 0.895 57.295 56.400 0.000 0.000 0.802 225 E CB 0.209 29.910 29.700 0.000 0.000 0.763 225 E HN 0.251 nan 8.360 nan 0.000 0.449 226 A N 0.910 123.734 122.820 0.006 0.000 3.409 226 A HA 0.524 4.844 4.320 0.000 0.000 0.282 226 A C -0.246 177.345 177.584 0.012 0.000 1.064 226 A CA -0.078 51.966 52.037 0.012 0.000 0.889 226 A CB 0.815 19.824 19.000 0.015 0.000 1.251 226 A HN 0.212 nan 8.150 nan 0.000 0.538 227 G N 0.474 109.281 108.800 0.013 0.000 2.452 227 G HA2 0.527 4.487 3.960 0.000 0.000 0.324 227 G HA3 0.527 4.487 3.960 0.000 0.000 0.324 227 G C -0.431 174.488 174.900 0.032 0.000 1.214 227 G CA -0.670 44.439 45.100 0.015 0.000 0.947 227 G HN 0.427 nan 8.290 nan 0.000 0.478 228 K N 2.063 122.490 120.400 0.045 0.000 2.401 228 K HA 0.199 4.519 4.320 0.000 0.000 0.278 228 K C -2.052 174.604 176.600 0.093 0.000 1.018 228 K CA -0.902 55.430 56.287 0.075 0.000 0.981 228 K CB 0.722 33.285 32.500 0.105 0.000 0.933 228 K HN 0.267 nan 8.250 nan 0.000 0.477 229 P HA -0.020 nan 4.420 nan 0.000 0.266 229 P C -0.504 176.899 177.300 0.172 0.000 1.193 229 P CA 0.024 63.188 63.100 0.106 0.000 0.770 229 P CB 0.491 32.242 31.700 0.085 0.000 0.836 230 R N 1.692 122.286 120.500 0.156 0.000 2.623 230 R HA 0.018 4.358 4.340 0.000 0.000 0.271 230 R C -0.120 176.377 176.300 0.328 0.000 1.043 230 R CA 0.123 56.348 56.100 0.209 0.000 1.083 230 R CB -0.044 30.342 30.300 0.142 0.000 0.974 230 R HN 0.529 nan 8.270 nan 0.000 0.436 231 W N 1.594 122.948 121.300 0.090 0.000 2.264 231 W HA -0.062 4.598 4.660 0.000 0.000 0.331 231 W C 0.771 177.401 176.519 0.185 0.000 1.364 231 W CA -0.096 57.331 57.345 0.136 0.000 1.253 231 W CB 0.001 29.555 29.460 0.156 0.000 1.215 231 W HN 0.451 nan 8.180 nan 0.000 0.561 232 D N 3.717 124.280 120.400 0.272 0.000 2.545 232 D HA 0.043 4.683 4.640 0.000 0.000 0.227 232 D C -1.032 175.456 176.300 0.313 0.000 1.150 232 D CA 0.080 54.208 54.000 0.213 0.000 1.046 232 D CB -0.488 40.364 40.800 0.087 0.000 1.098 232 D HN 0.277 nan 8.370 nan 0.000 0.502 233 W N 2.793 124.210 121.300 0.195 0.000 2.785 233 W HA 0.494 5.154 4.660 0.000 0.000 0.333 233 W C -1.392 175.221 176.519 0.158 0.000 1.062 233 W CA -0.901 56.577 57.345 0.221 0.000 1.233 233 W CB 1.444 31.134 29.460 0.383 0.000 1.413 233 W HN -0.017 nan 8.180 nan 0.000 0.489 234 Q N 6.704 126.067 119.800 -0.727 0.000 2.285 234 Q HA 0.481 4.821 4.340 0.000 0.000 0.269 234 Q C -2.324 172.970 176.000 -1.176 0.000 1.030 234 Q CA -2.089 53.260 55.803 -0.757 0.000 0.788 234 Q CB 2.404 30.945 28.738 -0.327 0.000 1.266 234 Q HN 0.261 nan 8.270 nan 0.000 0.438 235 P HA 0.025 nan 4.420 nan 0.000 0.270 235 P C -0.627 176.489 177.300 -0.306 0.000 1.223 235 P CA -0.295 62.414 63.100 -0.651 0.000 0.785 235 P CB 0.665 32.204 31.700 -0.268 0.000 0.923 236 E N 2.806 122.920 120.200 -0.144 0.000 2.480 236 E HA 0.068 4.418 4.350 0.000 0.000 0.258 236 E C -1.678 174.885 176.600 -0.062 0.000 0.984 236 E CA -1.318 55.036 56.400 -0.078 0.000 0.930 236 E CB -0.646 29.045 29.700 -0.014 0.000 0.936 236 E HN 0.268 nan 8.360 nan 0.000 0.466 237 P HA -0.045 nan 4.420 nan 0.000 0.265 237 P C -0.592 176.694 177.300 -0.023 0.000 1.193 237 P CA -0.230 62.843 63.100 -0.045 0.000 0.765 237 P CB 0.867 32.541 31.700 -0.043 0.000 0.823 238 V N 3.315 123.219 119.914 -0.016 0.000 2.508 238 V HA 0.087 4.207 4.120 0.000 0.000 0.281 238 V C 0.244 176.336 176.094 -0.004 0.000 1.041 238 V CA -0.221 62.077 62.300 -0.004 0.000 1.016 238 V CB 0.088 31.911 31.823 -0.000 0.000 0.984 238 V HN 0.566 nan 8.190 nan 0.000 0.478 239 N N 4.917 123.617 118.700 0.001 0.000 2.609 239 N HA 0.295 5.035 4.740 0.000 0.000 0.234 239 N C 0.754 176.266 175.510 0.004 0.000 1.001 239 N CA -0.194 52.856 53.050 0.001 0.000 0.926 239 N CB 1.153 39.641 38.487 0.002 0.000 1.130 239 N HN 0.738 nan 8.380 nan 0.000 0.510 240 E N 1.555 121.757 120.200 0.002 0.000 2.268 240 E HA -0.089 4.261 4.350 0.000 0.000 0.195 240 E C 1.159 177.761 176.600 0.004 0.000 0.995 240 E CA 0.710 57.112 56.400 0.003 0.000 0.836 240 E CB 0.168 29.869 29.700 0.001 0.000 0.763 240 E HN 0.693 nan 8.360 nan 0.000 0.491 241 A N 0.631 123.453 122.820 0.003 0.000 2.066 241 A HA -0.077 4.243 4.320 0.000 0.000 0.218 241 A C 1.985 179.572 177.584 0.005 0.000 1.157 241 A CA 0.701 52.740 52.037 0.003 0.000 0.670 241 A CB -0.026 18.975 19.000 0.002 0.000 0.804 241 A HN 0.207 nan 8.150 nan 0.000 0.453 242 L N -1.213 120.014 121.223 0.007 0.000 2.425 242 L HA 0.247 4.587 4.340 0.000 0.000 0.215 242 L C 1.414 178.292 176.870 0.012 0.000 1.065 242 L CA 1.189 56.035 54.840 0.010 0.000 0.842 242 L CB -0.376 41.689 42.059 0.011 0.000 1.033 242 L HN 0.172 nan 8.230 nan 0.000 0.474 243 N N 0.633 119.340 118.700 0.012 0.000 2.166 243 N HA -0.069 4.671 4.740 0.000 0.000 0.186 243 N C 1.732 177.249 175.510 0.011 0.000 1.019 243 N CA 1.536 54.594 53.050 0.014 0.000 0.856 243 N CB -0.304 38.191 38.487 0.013 0.000 0.993 243 N HN 0.488 nan 8.380 nan 0.000 0.426 244 A N 0.181 123.006 122.820 0.008 0.000 2.072 244 A HA 0.051 4.371 4.320 0.000 0.000 0.216 244 A C 2.152 179.741 177.584 0.008 0.000 1.156 244 A CA 0.449 52.490 52.037 0.007 0.000 0.701 244 A CB -0.169 18.834 19.000 0.005 0.000 0.816 244 A HN 0.163 nan 8.150 nan 0.000 0.458 245 R N -0.623 119.883 120.500 0.009 0.000 2.073 245 R HA -0.043 4.298 4.340 0.000 0.000 0.229 245 R C 1.866 178.172 176.300 0.011 0.000 1.120 245 R CA 1.612 57.717 56.100 0.009 0.000 0.967 245 R CB -0.307 29.998 30.300 0.009 0.000 0.862 245 R HN 0.272 nan 8.270 nan 0.000 0.436 246 V N 0.651 120.574 119.914 0.014 0.000 2.719 246 V HA -0.010 4.110 4.120 0.000 0.000 0.252 246 V C 1.952 178.056 176.094 0.017 0.000 1.065 246 V CA 1.674 63.984 62.300 0.017 0.000 1.086 246 V CB 0.126 31.962 31.823 0.022 0.000 0.700 246 V HN 0.497 nan 8.190 nan 0.000 0.467 247 A N -0.337 122.491 122.820 0.014 0.000 2.066 247 A HA 0.190 4.510 4.320 0.000 0.000 0.218 247 A C 2.243 179.834 177.584 0.010 0.000 1.157 247 A CA 1.331 53.375 52.037 0.012 0.000 0.670 247 A CB -0.539 18.466 19.000 0.008 0.000 0.804 247 A HN 0.734 nan 8.150 nan 0.000 0.453 248 A N -0.998 121.828 122.820 0.010 0.000 2.209 248 A HA 0.311 4.632 4.320 0.000 0.000 0.212 248 A C 1.675 179.265 177.584 0.009 0.000 1.158 248 A CA 0.994 53.036 52.037 0.008 0.000 0.742 248 A CB -0.272 18.732 19.000 0.007 0.000 0.790 248 A HN 0.456 nan 8.150 nan 0.000 0.472 249 L N -3.201 118.028 121.223 0.012 0.000 2.878 249 L HA 0.327 4.667 4.340 0.000 0.000 0.253 249 L C 2.045 178.924 176.870 0.015 0.000 1.135 249 L CA 0.715 55.562 54.840 0.012 0.000 0.943 249 L CB 0.430 42.496 42.059 0.013 0.000 1.307 249 L HN 0.281 nan 8.230 nan 0.000 0.545 250 A N -0.573 122.257 122.820 0.017 0.000 1.975 250 A HA 0.037 4.357 4.320 0.000 0.000 0.197 250 A C 1.901 179.500 177.584 0.025 0.000 1.537 250 A CA 0.255 52.306 52.037 0.022 0.000 0.972 250 A CB 0.052 19.068 19.000 0.027 0.000 1.019 250 A HN 0.195 nan 8.150 nan 0.000 0.488 251 E N 0.669 120.880 120.200 0.020 0.000 2.097 251 E HA -0.220 4.130 4.350 0.000 0.000 0.196 251 E C 1.974 178.586 176.600 0.020 0.000 1.000 251 E CA 1.484 57.894 56.400 0.017 0.000 0.804 251 E CB -0.182 29.523 29.700 0.008 0.000 0.740 251 E HN 0.537 nan 8.360 nan 0.000 0.454 252 A N 0.862 123.692 122.820 0.017 0.000 1.968 252 A HA -0.103 4.217 4.320 0.000 0.000 0.217 252 A C 2.108 179.705 177.584 0.021 0.000 1.169 252 A CA 1.102 53.149 52.037 0.016 0.000 0.638 252 A CB -0.258 18.749 19.000 0.011 0.000 0.812 252 A HN 0.166 nan 8.150 nan 0.000 0.446 253 R N -0.768 119.745 120.500 0.022 0.000 2.127 253 R HA 0.153 4.494 4.340 0.000 0.000 0.217 253 R C 1.811 178.130 176.300 0.032 0.000 1.074 253 R CA 0.835 56.947 56.100 0.020 0.000 0.991 253 R CB -0.348 29.960 30.300 0.014 0.000 0.895 253 R HN 0.462 nan 8.270 nan 0.000 0.450 254 L N 0.296 121.552 121.223 0.055 0.000 2.217 254 L HA -0.073 4.267 4.340 0.000 0.000 0.211 254 L C 2.182 179.153 176.870 0.168 0.000 1.107 254 L CA 0.910 55.819 54.840 0.116 0.000 0.783 254 L CB -0.169 41.968 42.059 0.131 0.000 0.919 254 L HN 0.083 nan 8.230 nan 0.000 0.442 255 S N -0.405 115.351 115.700 0.093 0.000 2.383 255 S HA -0.151 4.319 4.470 0.000 0.000 0.227 255 S C 1.401 176.047 174.600 0.077 0.000 1.026 255 S CA 1.180 59.427 58.200 0.079 0.000 0.981 255 S CB -0.165 63.057 63.200 0.037 0.000 0.818 255 S HN 0.431 nan 8.310 nan 0.000 0.472 256 D N 1.390 121.820 120.400 0.050 0.000 2.277 256 D HA 0.184 4.824 4.640 0.000 0.000 0.208 256 D C 1.947 178.256 176.300 0.014 0.000 0.962 256 D CA 0.747 54.764 54.000 0.029 0.000 0.865 256 D CB -0.258 40.551 40.800 0.015 0.000 0.939 256 D HN 0.373 nan 8.370 nan 0.000 0.510 257 A N -0.149 122.674 122.820 0.005 0.000 1.968 257 A HA -0.131 4.189 4.320 0.000 0.000 0.217 257 A C 1.203 178.684 177.584 -0.173 0.000 1.169 257 A CA 0.713 52.693 52.037 -0.095 0.000 0.638 257 A CB -0.651 18.262 19.000 -0.145 0.000 0.812 257 A HN 0.212 nan 8.150 nan 0.000 0.446 258 Y N -0.861 119.416 120.300 -0.038 0.000 2.596 258 Y HA 0.262 4.812 4.550 0.000 0.000 0.316 258 Y C 1.770 177.658 175.900 -0.019 0.000 1.156 258 Y CA 0.354 58.431 58.100 -0.038 0.000 1.300 258 Y CB 0.027 38.460 38.460 -0.046 0.000 1.130 258 Y HN 0.325 nan 8.280 nan 0.000 0.518 259 R N -0.228 120.316 120.500 0.072 0.000 2.509 259 R HA 0.195 4.535 4.340 0.000 0.000 0.297 259 R C -0.430 175.885 176.300 0.024 0.000 0.951 259 R CA 0.046 56.177 56.100 0.052 0.000 1.103 259 R CB 0.494 30.819 30.300 0.042 0.000 1.283 259 R HN 0.037 nan 8.270 nan 0.000 0.534 260 I N 1.774 122.344 120.570 0.001 0.000 2.496 260 I HA 0.058 4.228 4.170 0.000 0.000 0.285 260 I C 1.276 177.400 176.117 0.012 0.000 1.080 260 I CA 0.327 61.624 61.300 -0.005 0.000 1.404 260 I CB 1.444 39.427 38.000 -0.029 0.000 1.403 260 I HN 0.042 nan 8.210 nan 0.000 0.539 261 T N 3.222 117.787 114.554 0.019 0.000 2.732 261 T HA -0.119 4.231 4.350 0.000 0.000 0.261 261 T C 0.605 175.328 174.700 0.038 0.000 1.040 261 T CA 0.737 62.854 62.100 0.030 0.000 1.145 261 T CB -0.245 68.637 68.868 0.024 0.000 0.866 261 T HN 0.612 nan 8.240 nan 0.000 0.427 262 D N 0.881 121.300 120.400 0.032 0.000 2.389 262 D HA 0.112 4.752 4.640 0.000 0.000 0.247 262 D C 1.064 177.403 176.300 0.065 0.000 1.128 262 D CA 0.089 54.113 54.000 0.041 0.000 0.884 262 D CB 0.799 41.616 40.800 0.029 0.000 1.194 262 D HN -0.015 nan 8.370 nan 0.000 0.441 263 K N 2.048 122.501 120.400 0.088 0.000 2.103 263 K HA -0.113 4.207 4.320 0.000 0.000 0.204 263 K C 1.639 178.342 176.600 0.173 0.000 1.052 263 K CA 0.879 57.262 56.287 0.161 0.000 0.945 263 K CB 0.167 32.744 32.500 0.128 0.000 0.722 263 K HN 0.571 nan 8.250 nan 0.000 0.443 264 Q N 0.104 119.954 119.800 0.084 0.000 2.119 264 Q HA -0.184 4.156 4.340 0.000 0.000 0.201 264 Q C 1.869 177.912 176.000 0.072 0.000 0.972 264 Q CA 1.417 57.259 55.803 0.065 0.000 0.847 264 Q CB 0.093 28.849 28.738 0.030 0.000 0.903 264 Q HN 0.365 nan 8.270 nan 0.000 0.433 265 E N 0.575 120.806 120.200 0.052 0.000 2.158 265 E HA -0.164 4.186 4.350 0.000 0.000 0.191 265 E C 2.011 178.618 176.600 0.011 0.000 0.982 265 E CA 0.382 56.798 56.400 0.027 0.000 0.823 265 E CB 0.178 29.887 29.700 0.014 0.000 0.766 265 E HN 0.129 nan 8.360 nan 0.000 0.468 266 R N -0.771 119.739 120.500 0.017 0.000 2.055 266 R HA -0.114 4.226 4.340 0.000 0.000 0.226 266 R C 1.919 178.151 176.300 -0.115 0.000 1.135 266 R CA 1.273 57.325 56.100 -0.080 0.000 0.959 266 R CB -0.306 29.929 30.300 -0.109 0.000 0.854 266 R HN 0.210 nan 8.270 nan 0.000 0.431 267 Y N 0.241 120.493 120.300 -0.082 0.000 2.274 267 Y HA -0.114 4.436 4.550 0.000 0.000 0.290 267 Y C 2.309 178.183 175.900 -0.044 0.000 1.145 267 Y CA 1.356 59.420 58.100 -0.060 0.000 1.203 267 Y CB -0.042 38.406 38.460 -0.020 0.000 0.984 267 Y HN 0.298 nan 8.280 nan 0.000 0.533 268 A N -0.708 122.174 122.820 0.103 0.000 1.929 268 A HA -0.199 4.121 4.320 0.000 0.000 0.216 268 A C 2.030 179.619 177.584 0.008 0.000 1.176 268 A CA 1.603 53.671 52.037 0.052 0.000 0.628 268 A CB -0.499 18.526 19.000 0.041 0.000 0.816 268 A HN 0.411 nan 8.150 nan 0.000 0.444 269 Q N -0.549 119.237 119.800 -0.024 0.000 2.049 269 Q HA -0.039 4.302 4.340 0.000 0.000 0.198 269 Q C 1.869 177.826 176.000 -0.072 0.000 0.971 269 Q CA 1.796 57.571 55.803 -0.047 0.000 0.833 269 Q CB -0.544 28.158 28.738 -0.061 0.000 0.896 269 Q HN 0.283 nan 8.270 nan 0.000 0.434 270 V N 1.103 120.934 119.914 -0.138 0.000 2.720 270 V HA -0.201 3.919 4.120 0.000 0.000 0.256 270 V C 1.779 177.829 176.094 -0.073 0.000 1.082 270 V CA 2.267 64.468 62.300 -0.165 0.000 1.101 270 V CB -0.369 31.234 31.823 -0.366 0.000 0.693 270 V HN 0.545 nan 8.190 nan 0.000 0.479 271 D N -0.824 119.553 120.400 -0.038 0.000 2.162 271 D HA -0.098 4.542 4.640 0.000 0.000 0.203 271 D C 2.052 178.357 176.300 0.008 0.000 0.967 271 D CA 1.398 55.402 54.000 0.006 0.000 0.840 271 D CB 0.380 41.201 40.800 0.035 0.000 0.972 271 D HN 0.393 nan 8.370 nan 0.000 0.482 272 V N 1.006 120.919 119.914 -0.000 0.000 2.307 272 V HA -0.229 3.892 4.120 0.000 0.000 0.245 272 V C 2.586 178.682 176.094 0.004 0.000 1.045 272 V CA 1.011 63.312 62.300 0.003 0.000 1.024 272 V CB -0.339 31.483 31.823 -0.001 0.000 0.651 272 V HN 0.145 nan 8.190 nan 0.000 0.449 273 I N -0.223 120.346 120.570 -0.002 0.000 2.163 273 I HA -0.264 3.906 4.170 0.000 0.000 0.243 273 I C 2.473 178.599 176.117 0.016 0.000 1.085 273 I CA 1.798 63.101 61.300 0.005 0.000 1.347 273 I CB -0.474 37.527 38.000 0.002 0.000 1.044 273 I HN 0.204 nan 8.210 nan 0.000 0.408 274 K N -0.097 120.315 120.400 0.019 0.000 2.057 274 K HA -0.114 4.206 4.320 0.000 0.000 0.207 274 K C 2.255 178.872 176.600 0.028 0.000 1.049 274 K CA 1.745 58.051 56.287 0.030 0.000 0.931 274 K CB -0.210 32.314 32.500 0.039 0.000 0.714 274 K HN 0.227 nan 8.250 nan 0.000 0.440 275 S N 0.986 116.700 115.700 0.024 0.000 2.428 275 S HA -0.090 4.380 4.470 0.000 0.000 0.230 275 S C 1.602 176.214 174.600 0.019 0.000 1.014 275 S CA 1.048 59.261 58.200 0.023 0.000 0.957 275 S CB -0.026 63.187 63.200 0.021 0.000 0.784 275 S HN 0.329 nan 8.310 nan 0.000 0.499 276 E N 0.577 120.787 120.200 0.016 0.000 2.122 276 E HA -0.020 4.330 4.350 0.000 0.000 0.190 276 E C 1.944 178.554 176.600 0.015 0.000 0.977 276 E CA 1.114 57.523 56.400 0.014 0.000 0.820 276 E CB -0.135 29.572 29.700 0.011 0.000 0.770 276 E HN 0.369 nan 8.360 nan 0.000 0.462 277 T N 1.533 116.097 114.554 0.018 0.000 2.777 277 T HA -0.081 4.269 4.350 0.000 0.000 0.266 277 T C 2.007 176.719 174.700 0.020 0.000 1.040 277 T CA 0.804 62.916 62.100 0.019 0.000 1.141 277 T CB -0.124 68.757 68.868 0.022 0.000 0.868 277 T HN 0.080 nan 8.240 nan 0.000 0.444 278 I N 1.461 122.045 120.570 0.023 0.000 2.252 278 I HA -0.133 4.037 4.170 0.000 0.000 0.245 278 I C 2.920 179.048 176.117 0.019 0.000 1.102 278 I CA 1.049 62.362 61.300 0.023 0.000 1.385 278 I CB -0.444 37.572 38.000 0.027 0.000 1.064 278 I HN 0.187 nan 8.210 nan 0.000 0.414 279 A N 0.287 123.118 122.820 0.018 0.000 1.969 279 A HA -0.162 4.159 4.320 0.000 0.000 0.218 279 A C 2.357 179.949 177.584 0.013 0.000 1.169 279 A CA 2.213 54.259 52.037 0.015 0.000 0.635 279 A CB -0.920 18.089 19.000 0.014 0.000 0.810 279 A HN 0.395 nan 8.150 nan 0.000 0.445 280 T N 0.180 114.742 114.554 0.013 0.000 2.812 280 T HA 0.013 4.363 4.350 0.000 0.000 0.264 280 T C 1.761 176.467 174.700 0.011 0.000 1.042 280 T CA 1.257 63.364 62.100 0.011 0.000 1.140 280 T CB -0.275 68.599 68.868 0.011 0.000 0.870 280 T HN 0.343 nan 8.240 nan 0.000 0.445 281 L N 0.160 121.391 121.223 0.013 0.000 2.156 281 L HA 0.035 4.375 4.340 0.000 0.000 0.208 281 L C 2.110 178.988 176.870 0.012 0.000 1.095 281 L CA 0.545 55.392 54.840 0.013 0.000 0.770 281 L CB -0.387 41.681 42.059 0.015 0.000 0.914 281 L HN 0.189 nan 8.230 nan 0.000 0.439 282 L N -0.432 120.798 121.223 0.013 0.000 2.156 282 L HA -0.066 4.275 4.340 0.000 0.000 0.208 282 L C 2.649 179.525 176.870 0.010 0.000 1.095 282 L CA 1.576 56.424 54.840 0.012 0.000 0.770 282 L CB -0.899 41.169 42.059 0.013 0.000 0.914 282 L HN 0.140 nan 8.230 nan 0.000 0.439 283 A N -1.085 121.741 122.820 0.010 0.000 2.014 283 A HA -0.186 4.134 4.320 0.000 0.000 0.218 283 A C 2.341 179.930 177.584 0.008 0.000 1.163 283 A CA 1.514 53.556 52.037 0.008 0.000 0.652 283 A CB -0.337 18.668 19.000 0.008 0.000 0.808 283 A HN 0.470 nan 8.150 nan 0.000 0.449 284 E N -0.918 119.287 120.200 0.008 0.000 2.122 284 E HA -0.077 4.273 4.350 0.000 0.000 0.190 284 E C -0.628 175.976 176.600 0.007 0.000 0.977 284 E CA 0.715 57.119 56.400 0.007 0.000 0.820 284 E CB 0.230 29.934 29.700 0.007 0.000 0.770 284 E HN 0.376 nan 8.360 nan 0.000 0.462 285 D N -0.564 119.841 120.400 0.008 0.000 2.616 285 D HA 0.101 4.741 4.640 0.000 0.000 0.238 285 D C -0.424 175.881 176.300 0.008 0.000 1.354 285 D CA -0.208 53.796 54.000 0.007 0.000 0.970 285 D CB 1.413 42.217 40.800 0.007 0.000 1.369 285 D HN -0.015 nan 8.370 nan 0.000 0.585 286 E N 0.713 120.917 120.200 0.007 0.000 2.285 286 E HA -0.055 4.295 4.350 0.000 0.000 0.194 286 E C 1.479 178.084 176.600 0.008 0.000 0.997 286 E CA 0.927 57.332 56.400 0.008 0.000 0.845 286 E CB 0.326 30.030 29.700 0.007 0.000 0.782 286 E HN 0.593 nan 8.360 nan 0.000 0.491 287 T N -0.641 113.917 114.554 0.007 0.000 3.072 287 T HA 0.022 4.372 4.350 0.000 0.000 0.266 287 T C 0.981 175.685 174.700 0.007 0.000 1.127 287 T CA 0.077 62.181 62.100 0.006 0.000 1.107 287 T CB -0.157 68.714 68.868 0.005 0.000 0.910 287 T HN -0.062 nan 8.240 nan 0.000 0.513 288 L N 2.008 123.236 121.223 0.009 0.000 2.461 288 L HA 0.309 4.649 4.340 0.000 0.000 0.272 288 L C 0.476 177.353 176.870 0.012 0.000 1.197 288 L CA -0.495 54.351 54.840 0.010 0.000 0.836 288 L CB 0.305 42.371 42.059 0.012 0.000 1.105 288 L HN 0.148 nan 8.230 nan 0.000 0.477 289 D N 0.917 121.325 120.400 0.013 0.000 2.304 289 D HA 0.005 4.645 4.640 0.000 0.000 0.250 289 D C 0.746 177.058 176.300 0.020 0.000 1.107 289 D CA 0.009 54.018 54.000 0.015 0.000 0.885 289 D CB 1.245 42.053 40.800 0.014 0.000 1.192 289 D HN 0.546 nan 8.370 nan 0.000 0.436 290 E N 2.558 122.771 120.200 0.022 0.000 2.152 290 E HA -0.160 4.190 4.350 0.000 0.000 0.192 290 E C 0.875 177.494 176.600 0.033 0.000 0.983 290 E CA 0.515 56.931 56.400 0.027 0.000 0.818 290 E CB 0.199 29.915 29.700 0.027 0.000 0.758 290 E HN 0.427 nan 8.360 nan 0.000 0.467 291 N N 0.936 119.654 118.700 0.030 0.000 2.270 291 N HA -0.165 4.575 4.740 0.000 0.000 0.181 291 N C 1.608 177.141 175.510 0.037 0.000 1.016 291 N CA 0.857 53.928 53.050 0.035 0.000 0.870 291 N CB -0.154 38.349 38.487 0.027 0.000 0.979 291 N HN 0.352 nan 8.380 nan 0.000 0.431 292 E N 0.948 121.167 120.200 0.032 0.000 2.072 292 E HA -0.051 4.299 4.350 0.000 0.000 0.191 292 E C 1.945 178.568 176.600 0.039 0.000 0.985 292 E CA 0.489 56.909 56.400 0.033 0.000 0.801 292 E CB 0.064 29.779 29.700 0.025 0.000 0.750 292 E HN 0.238 nan 8.360 nan 0.000 0.452 293 L N -0.068 121.177 121.223 0.037 0.000 2.093 293 L HA -0.071 4.269 4.340 0.000 0.000 0.208 293 L C 2.583 179.486 176.870 0.054 0.000 1.085 293 L CA 1.148 56.012 54.840 0.041 0.000 0.755 293 L CB -0.468 41.612 42.059 0.035 0.000 0.904 293 L HN 0.262 nan 8.230 nan 0.000 0.435 294 G N -0.586 108.248 108.800 0.057 0.000 2.422 294 G HA2 -0.191 3.769 3.960 0.000 0.000 0.218 294 G HA3 -0.191 3.769 3.960 0.000 0.000 0.218 294 G C 1.443 176.398 174.900 0.092 0.000 1.140 294 G CA 0.378 45.521 45.100 0.072 0.000 0.775 294 G HN 0.409 nan 8.290 nan 0.000 0.545 295 E N -0.101 120.146 120.200 0.078 0.000 2.112 295 E HA -0.011 4.339 4.350 0.000 0.000 0.190 295 E C 2.385 179.053 176.600 0.113 0.000 0.979 295 E CA 0.295 56.748 56.400 0.089 0.000 0.814 295 E CB 0.026 29.766 29.700 0.066 0.000 0.762 295 E HN 0.315 nan 8.360 nan 0.000 0.460 296 I N 0.848 121.469 120.570 0.085 0.000 2.500 296 I HA -0.163 4.007 4.170 0.000 0.000 0.252 296 I C 2.274 178.436 176.117 0.076 0.000 1.142 296 I CA 1.007 62.350 61.300 0.072 0.000 1.451 296 I CB -0.796 37.233 38.000 0.049 0.000 1.093 296 I HN 0.154 nan 8.210 nan 0.000 0.430 297 L N -0.127 121.147 121.223 0.085 0.000 2.141 297 L HA -0.231 4.109 4.340 0.000 0.000 0.209 297 L C 2.635 179.563 176.870 0.097 0.000 1.094 297 L CA 1.141 56.029 54.840 0.080 0.000 0.763 297 L CB -0.680 41.427 42.059 0.080 0.000 0.908 297 L HN 0.282 nan 8.230 nan 0.000 0.437 298 H N -0.427 118.667 119.070 0.039 0.000 2.462 298 H HA -0.041 4.516 4.556 0.000 0.000 0.292 298 H C 2.120 177.460 175.328 0.020 0.000 1.049 298 H CA 1.119 57.190 56.048 0.038 0.000 1.334 298 H CB 0.268 30.060 29.762 0.050 0.000 1.404 298 H HN 0.280 nan 8.280 nan 0.000 0.544 299 A N 0.271 123.142 122.820 0.086 0.000 1.969 299 A HA -0.050 4.270 4.320 0.000 0.000 0.218 299 A C 2.277 179.837 177.584 -0.040 0.000 1.169 299 A CA 1.330 53.383 52.037 0.028 0.000 0.635 299 A CB -0.539 18.494 19.000 0.055 0.000 0.810 299 A HN 0.495 nan 8.150 nan 0.000 0.445 300 I N -0.514 120.035 120.570 -0.034 0.000 2.286 300 I HA -0.201 3.969 4.170 0.000 0.000 0.245 300 I C 2.314 178.357 176.117 -0.124 0.000 1.104 300 I CA 1.288 62.556 61.300 -0.052 0.000 1.397 300 I CB -0.485 37.507 38.000 -0.013 0.000 1.072 300 I HN 0.343 nan 8.210 nan 0.000 0.417 301 E N 1.092 121.193 120.200 -0.165 0.000 2.110 301 E HA -0.258 4.092 4.350 0.000 0.000 0.193 301 E C 2.137 178.474 176.600 -0.438 0.000 0.988 301 E CA 1.042 57.245 56.400 -0.328 0.000 0.804 301 E CB -0.078 29.472 29.700 -0.250 0.000 0.745 301 E HN 0.377 nan 8.360 nan 0.000 0.458 302 K N 0.885 121.087 120.400 -0.330 0.000 2.103 302 K HA -0.147 4.173 4.320 0.000 0.000 0.204 302 K C 1.924 178.421 176.600 -0.172 0.000 1.052 302 K CA 1.183 57.326 56.287 -0.240 0.000 0.945 302 K CB 0.044 32.455 32.500 -0.148 0.000 0.722 302 K HN -0.059 nan 8.250 nan 0.000 0.443 303 N N 0.203 118.818 118.700 -0.141 0.000 2.216 303 N HA -0.099 4.641 4.740 0.000 0.000 0.183 303 N C 1.571 177.012 175.510 -0.115 0.000 1.017 303 N CA 0.832 53.823 53.050 -0.098 0.000 0.861 303 N CB 0.118 38.567 38.487 -0.064 0.000 0.986 303 N HN -0.039 nan 8.380 nan 0.000 0.428 304 V N -0.308 119.508 119.914 -0.164 0.000 2.307 304 V HA -0.153 3.967 4.120 0.000 0.000 0.245 304 V C 2.201 178.193 176.094 -0.171 0.000 1.045 304 V CA 1.291 63.497 62.300 -0.157 0.000 1.024 304 V CB -0.391 31.328 31.823 -0.172 0.000 0.651 304 V HN 0.143 nan 8.190 nan 0.000 0.449 305 V N -0.200 119.555 119.914 -0.264 0.000 2.307 305 V HA -0.214 3.906 4.120 0.000 0.000 0.245 305 V C 2.526 178.555 176.094 -0.108 0.000 1.045 305 V CA 1.967 64.146 62.300 -0.202 0.000 1.024 305 V CB -0.785 30.877 31.823 -0.269 0.000 0.651 305 V HN 0.427 nan 8.190 nan 0.000 0.449 306 R N 0.124 120.563 120.500 -0.102 0.000 2.096 306 R HA -0.106 4.234 4.340 0.000 0.000 0.235 306 R C 2.559 178.832 176.300 -0.045 0.000 1.127 306 R CA 1.649 57.714 56.100 -0.058 0.000 0.968 306 R CB -0.413 29.858 30.300 -0.049 0.000 0.861 306 R HN 0.457 nan 8.270 nan 0.000 0.440 307 S N 0.319 115.988 115.700 -0.052 0.000 2.383 307 S HA -0.058 4.412 4.470 0.000 0.000 0.227 307 S C 1.759 176.339 174.600 -0.034 0.000 1.026 307 S CA 0.953 59.130 58.200 -0.039 0.000 0.981 307 S CB -0.055 63.121 63.200 -0.039 0.000 0.818 307 S HN 0.303 nan 8.310 nan 0.000 0.472 308 R N 0.470 120.948 120.500 -0.037 0.000 2.115 308 R HA 0.019 4.359 4.340 0.000 0.000 0.226 308 R C 2.090 178.377 176.300 -0.022 0.000 1.100 308 R CA 0.981 57.066 56.100 -0.026 0.000 0.980 308 R CB -0.382 29.905 30.300 -0.021 0.000 0.875 308 R HN 0.255 nan 8.270 nan 0.000 0.445 309 V N 0.863 120.763 119.914 -0.024 0.000 2.453 309 V HA -0.172 3.948 4.120 0.000 0.000 0.247 309 V C 1.985 178.064 176.094 -0.024 0.000 1.048 309 V CA 1.297 63.586 62.300 -0.019 0.000 1.049 309 V CB -0.266 31.549 31.823 -0.013 0.000 0.672 309 V HN 0.155 nan 8.190 nan 0.000 0.457 310 L N 0.483 121.690 121.223 -0.026 0.000 2.093 310 L HA -0.020 4.320 4.340 0.000 0.000 0.208 310 L C 2.582 179.430 176.870 -0.037 0.000 1.085 310 L CA 2.083 56.904 54.840 -0.031 0.000 0.755 310 L CB -1.051 40.993 42.059 -0.026 0.000 0.904 310 L HN 0.273 nan 8.230 nan 0.000 0.435 311 A N -0.994 121.807 122.820 -0.031 0.000 1.930 311 A HA 0.256 4.576 4.320 0.000 0.000 0.217 311 A C 1.727 179.292 177.584 -0.031 0.000 1.175 311 A CA 1.334 53.353 52.037 -0.030 0.000 0.627 311 A CB -0.661 18.325 19.000 -0.024 0.000 0.815 311 A HN 0.560 nan 8.150 nan 0.000 0.443 312 G N -0.336 108.447 108.800 -0.029 0.000 2.186 312 G HA2 -0.075 3.885 3.960 0.000 0.000 0.130 312 G HA3 -0.075 3.885 3.960 0.000 0.000 0.130 312 G C -0.329 174.559 174.900 -0.020 0.000 1.031 312 G CA 0.107 45.191 45.100 -0.028 0.000 0.697 312 G HN 0.979 nan 8.290 nan 0.000 0.494 313 E N 0.196 120.387 120.200 -0.016 0.000 2.207 313 E HA 0.693 5.043 4.350 0.000 0.000 0.270 313 E C -2.654 173.943 176.600 -0.005 0.000 0.927 313 E CA -2.481 53.913 56.400 -0.009 0.000 0.799 313 E CB 1.706 31.402 29.700 -0.007 0.000 1.172 313 E HN 0.017 nan 8.360 nan 0.000 0.404 314 P HA -0.145 nan 4.420 nan 0.000 0.263 314 P C -0.180 177.128 177.300 0.012 0.000 1.168 314 P CA 0.381 63.484 63.100 0.005 0.000 0.759 314 P CB 0.380 32.085 31.700 0.007 0.000 0.782 315 R N 2.839 123.349 120.500 0.017 0.000 2.828 315 R HA 0.193 4.533 4.340 0.000 0.000 0.270 315 R C 1.037 177.363 176.300 0.043 0.000 1.244 315 R CA -0.475 55.642 56.100 0.028 0.000 1.143 315 R CB -0.538 29.780 30.300 0.030 0.000 1.128 315 R HN 0.142 nan 8.270 nan 0.000 0.587 316 I N 1.004 121.613 120.570 0.065 0.000 2.163 316 I HA -0.288 3.882 4.170 0.000 0.000 0.243 316 I C 1.822 177.976 176.117 0.061 0.000 1.085 316 I CA 2.040 63.391 61.300 0.084 0.000 1.347 316 I CB -0.677 37.400 38.000 0.127 0.000 1.044 316 I HN 0.735 nan 8.210 nan 0.000 0.408 317 D N 0.470 120.903 120.400 0.055 0.000 2.340 317 D HA 0.106 4.746 4.640 0.000 0.000 0.220 317 D C 1.354 177.673 176.300 0.031 0.000 1.039 317 D CA 0.679 54.705 54.000 0.044 0.000 0.866 317 D CB -0.172 40.656 40.800 0.047 0.000 0.913 317 D HN 0.389 nan 8.370 nan 0.000 0.523 318 G N 0.624 109.441 108.800 0.028 0.000 2.414 318 G HA2 -0.240 3.720 3.960 0.000 0.000 0.256 318 G HA3 -0.240 3.720 3.960 0.000 0.000 0.256 318 G C -0.179 174.729 174.900 0.014 0.000 1.128 318 G CA -0.295 44.817 45.100 0.019 0.000 0.944 318 G HN 0.429 nan 8.290 nan 0.000 0.500 319 R N -0.551 119.957 120.500 0.014 0.000 2.930 319 R HA 0.831 5.171 4.340 0.000 0.000 0.257 319 R C 0.384 176.685 176.300 0.002 0.000 1.107 319 R CA -0.201 55.903 56.100 0.006 0.000 0.999 319 R CB 0.942 31.247 30.300 0.008 0.000 1.209 319 R HN 0.477 nan 8.270 nan 0.000 0.486 320 E N 0.715 120.912 120.200 -0.005 0.000 2.504 320 E HA 0.115 4.465 4.350 0.000 0.000 0.253 320 E C 0.582 177.177 176.600 -0.009 0.000 1.151 320 E CA -0.191 56.204 56.400 -0.009 0.000 0.972 320 E CB 0.281 29.972 29.700 -0.014 0.000 1.247 320 E HN 0.700 nan 8.360 nan 0.000 0.519 321 K N -0.586 119.806 120.400 -0.013 0.000 2.211 321 K HA -0.092 4.228 4.320 0.000 0.000 0.203 321 K C 0.602 177.193 176.600 -0.014 0.000 1.050 321 K CA 1.815 58.094 56.287 -0.013 0.000 0.945 321 K CB 0.303 32.792 32.500 -0.019 0.000 0.732 321 K HN 0.536 nan 8.250 nan 0.000 0.451 322 D N 0.095 120.484 120.400 -0.019 0.000 2.441 322 D HA 0.044 4.684 4.640 0.000 0.000 0.210 322 D C 0.529 176.810 176.300 -0.033 0.000 1.102 322 D CA -0.199 53.787 54.000 -0.023 0.000 0.840 322 D CB -0.061 40.724 40.800 -0.025 0.000 0.990 322 D HN 0.131 nan 8.370 nan 0.000 0.505 323 M N 1.422 121.002 119.600 -0.032 0.000 2.228 323 M HA 0.281 4.761 4.480 0.000 0.000 0.351 323 M C 0.347 176.624 176.300 -0.038 0.000 1.233 323 M CA -0.126 55.147 55.300 -0.046 0.000 1.129 323 M CB 1.318 33.898 32.600 -0.034 0.000 1.604 323 M HN 0.037 nan 8.290 nan 0.000 0.457 324 I N -0.344 120.187 120.570 -0.065 0.000 2.750 324 I HA 0.604 4.774 4.170 0.000 0.000 0.308 324 I C -0.211 175.896 176.117 -0.017 0.000 1.016 324 I CA -1.238 60.044 61.300 -0.031 0.000 1.098 324 I CB 1.524 39.509 38.000 -0.024 0.000 1.279 324 I HN 0.611 nan 8.210 nan 0.000 0.454 325 R N 1.901 122.412 120.500 0.018 0.000 2.801 325 R HA 0.363 4.703 4.340 0.000 0.000 0.273 325 R C 0.463 176.783 176.300 0.033 0.000 1.080 325 R CA 0.050 56.164 56.100 0.024 0.000 1.197 325 R CB 0.415 30.734 30.300 0.031 0.000 1.109 325 R HN 0.958 nan 8.270 nan 0.000 0.535 326 G N 0.922 109.737 108.800 0.024 0.000 2.491 326 G HA2 0.309 4.270 3.960 0.000 0.000 0.242 326 G HA3 0.309 4.270 3.960 0.000 0.000 0.242 326 G C -0.551 174.347 174.900 -0.003 0.000 1.266 326 G CA -0.464 44.652 45.100 0.028 0.000 0.844 326 G HN 0.271 nan 8.290 nan 0.000 0.571 327 L N 0.999 122.222 121.223 -0.001 0.000 2.346 327 L HA 0.467 4.807 4.340 0.000 0.000 0.274 327 L C -0.810 175.998 176.870 -0.102 0.000 1.007 327 L CA -0.894 53.897 54.840 -0.082 0.000 0.818 327 L CB 2.414 44.472 42.059 -0.003 0.000 1.284 327 L HN 0.409 nan 8.230 nan 0.000 0.424 328 D N 2.021 122.300 120.400 -0.201 0.000 2.421 328 D HA 0.343 4.983 4.640 0.000 0.000 0.254 328 D C -1.301 174.925 176.300 -0.124 0.000 1.238 328 D CA -0.218 53.706 54.000 -0.127 0.000 0.919 328 D CB 1.830 42.568 40.800 -0.103 0.000 1.152 328 D HN 0.061 nan 8.370 nan 0.000 0.552 329 V N 5.147 125.053 119.914 -0.015 0.000 2.383 329 V HA 0.530 4.650 4.120 0.000 0.000 0.275 329 V C 0.430 176.562 176.094 0.065 0.000 1.036 329 V CA -0.443 61.911 62.300 0.090 0.000 0.889 329 V CB 1.161 33.072 31.823 0.146 0.000 0.985 329 V HN 0.359 nan 8.190 nan 0.000 0.459 330 R N 2.800 123.348 120.500 0.080 0.000 2.628 330 R HA 0.738 5.078 4.340 0.000 0.000 0.288 330 R C -1.019 175.318 176.300 0.062 0.000 0.980 330 R CA -0.594 55.539 56.100 0.054 0.000 0.891 330 R CB 2.489 32.810 30.300 0.035 0.000 1.188 330 R HN 0.683 nan 8.270 nan 0.000 0.450 331 T N 0.204 114.784 114.554 0.044 0.000 2.886 331 T HA 0.515 4.865 4.350 0.000 0.000 0.292 331 T C 0.207 174.922 174.700 0.025 0.000 1.012 331 T CA -0.382 61.741 62.100 0.038 0.000 0.982 331 T CB 1.857 70.746 68.868 0.035 0.000 1.018 331 T HN 0.829 nan 8.240 nan 0.000 0.451 332 G N 1.539 110.352 108.800 0.022 0.000 2.370 332 G HA2 -0.183 3.777 3.960 0.000 0.000 0.268 332 G HA3 -0.183 3.777 3.960 0.000 0.000 0.268 332 G C 0.510 175.416 174.900 0.010 0.000 1.122 332 G CA 0.046 45.155 45.100 0.014 0.000 0.963 332 G HN 0.656 nan 8.290 nan 0.000 0.500 333 V N 0.062 119.983 119.914 0.012 0.000 2.331 333 V HA 0.184 4.304 4.120 0.000 0.000 0.242 333 V C 1.842 177.936 176.094 -0.001 0.000 1.034 333 V CA 1.731 64.036 62.300 0.007 0.000 1.027 333 V CB -0.306 31.525 31.823 0.013 0.000 0.667 333 V HN 0.510 nan 8.190 nan 0.000 0.457 334 L N 1.461 122.682 121.223 -0.004 0.000 2.334 334 L HA 0.287 4.627 4.340 0.000 0.000 0.277 334 L C -1.057 175.801 176.870 -0.020 0.000 1.075 334 L CA -1.348 53.484 54.840 -0.013 0.000 0.804 334 L CB 0.432 42.480 42.059 -0.017 0.000 1.174 334 L HN 0.116 nan 8.230 nan 0.000 0.438 335 P HA -0.010 nan 4.420 nan 0.000 0.216 335 P C 1.114 178.389 177.300 -0.042 0.000 1.156 335 P CA 0.993 64.077 63.100 -0.027 0.000 0.855 335 P CB 0.321 32.006 31.700 -0.024 0.000 0.786 336 R N -0.971 119.495 120.500 -0.056 0.000 2.334 336 R HA 0.179 4.519 4.340 0.000 0.000 0.216 336 R C 1.059 177.273 176.300 -0.143 0.000 0.905 336 R CA 0.101 56.150 56.100 -0.084 0.000 1.064 336 R CB 0.056 30.313 30.300 -0.071 0.000 1.046 336 R HN 0.179 nan 8.270 nan 0.000 0.508 337 T N -1.150 113.330 114.554 -0.122 0.000 2.816 337 T HA 0.063 4.413 4.350 0.000 0.000 0.282 337 T C 1.054 175.650 174.700 -0.173 0.000 0.993 337 T CA -0.239 61.764 62.100 -0.163 0.000 0.994 337 T CB 1.032 69.861 68.868 -0.065 0.000 1.025 337 T HN 0.228 nan 8.240 nan 0.000 0.529 338 H N 0.456 119.522 119.070 -0.007 0.000 2.333 338 H HA 0.300 4.856 4.556 0.000 0.000 0.302 338 H C 1.129 176.453 175.328 -0.007 0.000 1.075 338 H CA 0.956 57.000 56.048 -0.007 0.000 1.348 338 H CB 0.165 29.925 29.762 -0.005 0.000 1.393 338 H HN 0.618 nan 8.280 nan 0.000 0.509 339 G N -0.808 108.057 108.800 0.109 0.000 2.753 339 G HA2 0.474 4.434 3.960 0.000 0.000 0.295 339 G HA3 0.474 4.434 3.960 0.000 0.000 0.295 339 G C -1.189 173.732 174.900 0.034 0.000 1.437 339 G CA -0.617 44.518 45.100 0.058 0.000 1.094 339 G HN 0.131 nan 8.290 nan 0.000 0.540 340 S N -0.525 115.191 115.700 0.026 0.000 2.568 340 S HA 0.917 5.387 4.470 0.000 0.000 0.302 340 S C -0.203 174.417 174.600 0.034 0.000 1.082 340 S CA -0.441 57.773 58.200 0.023 0.000 1.009 340 S CB 2.034 65.244 63.200 0.016 0.000 1.069 340 S HN 1.687 nan 8.310 nan 0.000 0.500 341 A N 1.718 124.564 122.820 0.043 0.000 2.456 341 A HA 0.674 4.994 4.320 0.000 0.000 0.288 341 A C -1.659 175.981 177.584 0.092 0.000 1.042 341 A CA -0.519 51.560 52.037 0.069 0.000 0.738 341 A CB 0.937 19.980 19.000 0.070 0.000 1.266 341 A HN 0.666 nan 8.150 nan 0.000 0.407 342 L N 3.090 124.377 121.223 0.106 0.000 2.324 342 L HA 0.735 5.075 4.340 0.000 0.000 0.274 342 L C -1.566 175.403 176.870 0.164 0.000 1.012 342 L CA -0.445 54.460 54.840 0.109 0.000 0.859 342 L CB 0.447 42.541 42.059 0.058 0.000 1.224 342 L HN 0.580 nan 8.230 nan 0.000 0.429 343 F N 4.079 124.051 119.950 0.037 0.000 2.382 343 F HA 0.604 5.131 4.527 0.000 0.000 0.361 343 F C -0.185 175.643 175.800 0.047 0.000 1.109 343 F CA -0.103 57.923 58.000 0.044 0.000 1.031 343 F CB 1.120 40.154 39.000 0.056 0.000 1.234 343 F HN 0.416 nan 8.300 nan 0.000 0.445 344 T N 6.382 120.644 114.554 -0.486 0.000 2.859 344 T HA 0.490 4.840 4.350 0.000 0.000 0.281 344 T C -0.552 173.839 174.700 -0.514 0.000 1.005 344 T CA -0.559 61.334 62.100 -0.345 0.000 1.025 344 T CB 1.283 70.041 68.868 -0.183 0.000 0.977 344 T HN 0.607 nan 8.240 nan 0.000 0.458 345 R N 0.687 121.024 120.500 -0.270 0.000 2.778 345 R HA 0.600 4.941 4.340 0.000 0.000 0.277 345 R C 0.411 176.669 176.300 -0.071 0.000 0.977 345 R CA -0.726 55.276 56.100 -0.164 0.000 0.950 345 R CB 1.167 31.445 30.300 -0.035 0.000 1.165 345 R HN 0.820 nan 8.270 nan 0.000 0.474 346 G N 1.139 109.917 108.800 -0.037 0.000 2.138 346 G HA2 0.231 4.191 3.960 0.000 0.000 0.263 346 G HA3 0.231 4.191 3.960 0.000 0.000 0.263 346 G C 0.766 175.670 174.900 0.006 0.000 1.103 346 G CA 1.112 46.204 45.100 -0.013 0.000 1.014 346 G HN 1.024 nan 8.290 nan 0.000 0.418 347 E N 0.280 120.481 120.200 0.003 0.000 4.028 347 E HA -0.209 4.141 4.350 0.000 0.000 0.343 347 E C 0.644 177.261 176.600 0.028 0.000 0.700 347 E CA 1.510 57.921 56.400 0.018 0.000 1.288 347 E CB -2.473 27.248 29.700 0.034 0.000 1.677 347 E HN 1.443 nan 8.360 nan 0.000 0.424 348 T N 0.599 115.170 114.554 0.028 0.000 3.186 348 T HA 0.544 4.894 4.350 0.000 0.000 0.320 348 T C -0.424 174.307 174.700 0.052 0.000 0.955 348 T CA -0.050 62.083 62.100 0.055 0.000 1.030 348 T CB 1.061 69.987 68.868 0.097 0.000 1.013 348 T HN 0.855 nan 8.240 nan 0.000 0.454 349 Q N 1.477 121.303 119.800 0.043 0.000 2.394 349 Q HA 0.881 5.221 4.340 0.000 0.000 0.273 349 Q C -1.556 174.491 176.000 0.077 0.000 1.089 349 Q CA -1.510 54.325 55.803 0.053 0.000 0.812 349 Q CB 2.530 31.275 28.738 0.011 0.000 1.353 349 Q HN 0.583 nan 8.270 nan 0.000 0.438 350 A N 2.557 125.456 122.820 0.131 0.000 2.385 350 A HA 0.445 4.765 4.320 0.000 0.000 0.290 350 A C -1.363 176.285 177.584 0.107 0.000 1.094 350 A CA -0.686 51.415 52.037 0.106 0.000 0.729 350 A CB 1.258 20.345 19.000 0.144 0.000 1.194 350 A HN 0.711 nan 8.150 nan 0.000 0.442 351 L N 4.184 125.442 121.223 0.058 0.000 2.433 351 L HA 0.418 4.758 4.340 0.000 0.000 0.284 351 L C -0.637 176.255 176.870 0.035 0.000 1.120 351 L CA 0.404 55.274 54.840 0.050 0.000 0.879 351 L CB 0.274 42.353 42.059 0.033 0.000 1.232 351 L HN 0.414 nan 8.230 nan 0.000 0.454 352 V N 4.003 123.946 119.914 0.049 0.000 2.394 352 V HA 0.586 4.706 4.120 0.000 0.000 0.282 352 V C 0.398 176.492 176.094 -0.001 0.000 1.031 352 V CA -0.325 61.987 62.300 0.020 0.000 0.881 352 V CB 1.517 33.371 31.823 0.052 0.000 0.982 352 V HN 0.839 nan 8.190 nan 0.000 0.451 353 T N 1.800 116.332 114.554 -0.038 0.000 2.887 353 T HA 0.882 5.232 4.350 0.000 0.000 0.288 353 T C -0.413 174.256 174.700 -0.052 0.000 1.021 353 T CA -0.647 61.437 62.100 -0.027 0.000 1.000 353 T CB 2.074 70.932 68.868 -0.017 0.000 1.034 353 T HN 0.979 nan 8.240 nan 0.000 0.467 354 A N 1.840 124.655 122.820 -0.008 0.000 2.350 354 A HA 0.828 5.148 4.320 0.000 0.000 0.324 354 A C -0.144 177.475 177.584 0.059 0.000 1.118 354 A CA -0.858 51.176 52.037 -0.005 0.000 0.783 354 A CB 1.297 20.308 19.000 0.017 0.000 1.236 354 A HN 0.922 nan 8.150 nan 0.000 0.457 355 T N 2.248 116.820 114.554 0.030 0.000 2.921 355 T HA 0.554 4.904 4.350 0.000 0.000 0.297 355 T C -0.606 174.045 174.700 -0.082 0.000 1.013 355 T CA -0.261 61.886 62.100 0.080 0.000 0.990 355 T CB 0.914 69.847 68.868 0.108 0.000 1.023 355 T HN 0.485 nan 8.240 nan 0.000 0.447 356 L N 2.103 123.098 121.223 -0.380 0.000 2.334 356 L HA 0.886 5.226 4.340 0.000 0.000 0.275 356 L C 0.795 177.566 176.870 -0.166 0.000 1.036 356 L CA -0.444 54.221 54.840 -0.290 0.000 0.807 356 L CB 1.604 43.402 42.059 -0.435 0.000 1.231 356 L HN 0.892 nan 8.230 nan 0.000 0.438 357 G N 0.092 108.902 108.800 0.017 0.000 2.782 357 G HA2 0.602 4.562 3.960 0.000 0.000 0.304 357 G HA3 0.602 4.562 3.960 0.000 0.000 0.304 357 G C -1.023 173.931 174.900 0.090 0.000 1.315 357 G CA -0.195 44.941 45.100 0.059 0.000 0.791 357 G HN 0.515 nan 8.290 nan 0.000 0.519 358 T N -2.552 112.017 114.554 0.025 0.000 2.936 358 T HA 0.586 4.936 4.350 0.000 0.000 0.282 358 T C 1.605 176.276 174.700 -0.048 0.000 1.003 358 T CA 0.617 62.691 62.100 -0.044 0.000 1.005 358 T CB 1.576 70.421 68.868 -0.039 0.000 1.097 358 T HN 1.389 nan 8.240 nan 0.000 0.532 359 A N 0.258 123.028 122.820 -0.083 0.000 2.131 359 A HA -0.059 4.261 4.320 0.000 0.000 0.220 359 A C 2.364 179.932 177.584 -0.026 0.000 1.158 359 A CA 1.535 53.538 52.037 -0.057 0.000 0.665 359 A CB -0.895 18.061 19.000 -0.074 0.000 0.795 359 A HN 0.919 nan 8.150 nan 0.000 0.460 360 R N -0.245 120.242 120.500 -0.023 0.000 2.115 360 R HA -0.109 4.231 4.340 0.000 0.000 0.230 360 R C 0.682 176.985 176.300 0.004 0.000 1.111 360 R CA 1.452 57.548 56.100 -0.008 0.000 0.976 360 R CB -0.156 30.140 30.300 -0.008 0.000 0.870 360 R HN 0.404 nan 8.270 nan 0.000 0.445 361 D N 0.615 121.019 120.400 0.007 0.000 2.363 361 D HA 0.013 4.653 4.640 0.000 0.000 0.220 361 D C 0.058 176.372 176.300 0.023 0.000 0.994 361 D CA 0.520 54.531 54.000 0.018 0.000 0.890 361 D CB 0.176 40.990 40.800 0.022 0.000 0.906 361 D HN 0.287 nan 8.370 nan 0.000 0.530 362 A N 1.491 124.322 122.820 0.019 0.000 2.440 362 A HA 0.188 4.508 4.320 0.000 0.000 0.251 362 A C 0.578 178.180 177.584 0.030 0.000 1.089 362 A CA -0.431 51.621 52.037 0.026 0.000 0.779 362 A CB 0.111 19.125 19.000 0.023 0.000 1.022 362 A HN 0.149 nan 8.150 nan 0.000 0.492 363 Q N 1.100 120.924 119.800 0.039 0.000 2.327 363 Q HA 0.476 4.816 4.340 0.000 0.000 0.254 363 Q C -1.085 174.939 176.000 0.040 0.000 0.952 363 Q CA -0.616 55.213 55.803 0.044 0.000 0.884 363 Q CB 0.927 29.699 28.738 0.056 0.000 1.224 363 Q HN 0.298 nan 8.270 nan 0.000 0.422 364 V N 4.698 124.635 119.914 0.038 0.000 2.304 364 V HA 0.174 4.294 4.120 0.000 0.000 0.262 364 V C 0.021 176.138 176.094 0.040 0.000 1.061 364 V CA -0.523 61.798 62.300 0.036 0.000 0.872 364 V CB 0.033 31.875 31.823 0.031 0.000 1.077 364 V HN 0.701 nan 8.190 nan 0.000 0.480 365 L N 3.976 125.224 121.223 0.041 0.000 2.433 365 L HA 0.245 4.585 4.340 0.000 0.000 0.275 365 L C 0.717 177.610 176.870 0.038 0.000 1.128 365 L CA -0.042 54.824 54.840 0.043 0.000 0.875 365 L CB 0.379 42.466 42.059 0.046 0.000 1.171 365 L HN 0.523 nan 8.230 nan 0.000 0.463 366 D N 4.304 124.727 120.400 0.039 0.000 2.619 366 D HA 0.024 4.664 4.640 0.000 0.000 0.224 366 D C 0.344 176.663 176.300 0.031 0.000 1.133 366 D CA -0.121 53.900 54.000 0.034 0.000 1.017 366 D CB 0.173 40.994 40.800 0.036 0.000 1.077 366 D HN 0.500 nan 8.370 nan 0.000 0.503 367 E N 1.144 121.363 120.200 0.031 0.000 2.369 367 E HA -0.000 4.350 4.350 0.000 0.000 0.255 367 E C 1.004 177.618 176.600 0.022 0.000 1.172 367 E CA -0.766 55.653 56.400 0.031 0.000 0.932 367 E CB 0.859 30.580 29.700 0.034 0.000 1.040 367 E HN 0.163 nan 8.360 nan 0.000 0.454 368 L N 2.455 123.691 121.223 0.022 0.000 2.083 368 L HA -0.045 4.295 4.340 0.000 0.000 0.209 368 L C 1.134 178.010 176.870 0.010 0.000 1.083 368 L CA 1.794 56.639 54.840 0.008 0.000 0.752 368 L CB -0.257 41.807 42.059 0.009 0.000 0.899 368 L HN 0.649 nan 8.230 nan 0.000 0.433 369 M N 0.272 119.883 119.600 0.018 0.000 3.347 369 M HA 0.396 4.876 4.480 0.000 0.000 0.260 369 M C 0.609 176.919 176.300 0.018 0.000 1.362 369 M CA 0.156 55.466 55.300 0.017 0.000 1.497 369 M CB -0.588 32.023 32.600 0.019 0.000 1.080 369 M HN 0.303 nan 8.290 nan 0.000 0.592 370 G N 1.295 110.105 108.800 0.016 0.000 2.860 370 G HA2 -0.181 3.779 3.960 0.000 0.000 0.553 370 G HA3 -0.181 3.779 3.960 0.000 0.000 0.553 370 G C -0.705 174.208 174.900 0.020 0.000 1.439 370 G CA -0.779 44.331 45.100 0.017 0.000 0.879 370 G HN 0.603 nan 8.290 nan 0.000 0.545 371 E N -0.445 119.767 120.200 0.021 0.000 2.351 371 E HA 0.690 5.040 4.350 0.000 0.000 0.255 371 E C 0.706 177.320 176.600 0.024 0.000 1.188 371 E CA -0.349 56.065 56.400 0.024 0.000 0.940 371 E CB 0.857 30.570 29.700 0.022 0.000 1.094 371 E HN 0.693 nan 8.360 nan 0.000 0.474 372 R N -0.330 120.186 120.500 0.027 0.000 2.824 372 R HA 0.116 4.456 4.340 0.000 0.000 0.267 372 R C -1.790 174.529 176.300 0.032 0.000 1.035 372 R CA -0.391 55.725 56.100 0.028 0.000 0.887 372 R CB 1.604 31.921 30.300 0.029 0.000 1.262 372 R HN 0.519 nan 8.270 nan 0.000 0.487 373 T N 0.791 115.364 114.554 0.032 0.000 2.771 373 T HA 0.285 4.635 4.350 0.000 0.000 0.281 373 T C -1.250 173.477 174.700 0.045 0.000 0.982 373 T CA -0.448 61.673 62.100 0.034 0.000 0.978 373 T CB 0.953 69.838 68.868 0.027 0.000 0.930 373 T HN 0.453 nan 8.240 nan 0.000 0.447 374 D N 3.115 123.546 120.400 0.051 0.000 2.392 374 D HA 0.401 5.041 4.640 0.000 0.000 0.228 374 D C 1.088 177.433 176.300 0.075 0.000 1.074 374 D CA -0.339 53.702 54.000 0.069 0.000 0.838 374 D CB 1.529 42.369 40.800 0.066 0.000 1.067 374 D HN 0.548 nan 8.370 nan 0.000 0.511 375 T N 2.838 117.454 114.554 0.104 0.000 2.852 375 T HA 0.024 4.374 4.350 0.000 0.000 0.256 375 T C 0.681 175.481 174.700 0.165 0.000 1.038 375 T CA 0.300 62.471 62.100 0.117 0.000 1.141 375 T CB -0.154 68.789 68.868 0.126 0.000 0.869 375 T HN 0.365 nan 8.240 nan 0.000 0.439 376 F N 2.610 122.593 119.950 0.056 0.000 2.424 376 F HA 0.498 5.025 4.527 0.000 0.000 0.356 376 F C -0.802 175.028 175.800 0.050 0.000 1.110 376 F CA -1.372 56.668 58.000 0.067 0.000 1.161 376 F CB 0.178 39.228 39.000 0.083 0.000 1.115 376 F HN -0.020 nan 8.300 nan 0.000 0.507 377 L N 7.539 128.462 121.223 -0.500 0.000 2.313 377 L HA 0.431 4.771 4.340 0.000 0.000 0.283 377 L C -1.131 175.350 176.870 -0.650 0.000 1.013 377 L CA -0.657 53.922 54.840 -0.435 0.000 0.816 377 L CB 1.601 43.488 42.059 -0.286 0.000 1.236 377 L HN 0.561 nan 8.230 nan 0.000 0.419 378 F N 2.654 122.258 119.950 -0.577 0.000 2.518 378 F HA 0.500 5.027 4.527 0.000 0.000 0.323 378 F C -0.302 175.271 175.800 -0.380 0.000 1.129 378 F CA -0.428 57.341 58.000 -0.386 0.000 0.920 378 F CB 1.112 40.056 39.000 -0.093 0.000 1.160 378 F HN 0.415 nan 8.300 nan 0.000 0.440 379 H N 5.081 124.193 119.070 0.070 0.000 2.529 379 H HA 0.216 4.772 4.556 0.000 0.000 0.348 379 H C -1.633 173.852 175.328 0.261 0.000 1.079 379 H CA -0.593 55.553 56.048 0.163 0.000 1.198 379 H CB 2.036 31.817 29.762 0.031 0.000 1.521 379 H HN 0.665 nan 8.280 nan 0.000 0.514 380 Y N 3.215 123.713 120.300 0.329 0.000 2.352 380 Y HA 0.300 4.851 4.550 0.000 0.000 0.339 380 Y C -0.861 175.148 175.900 0.180 0.000 0.992 380 Y CA -0.597 57.665 58.100 0.270 0.000 1.100 380 Y CB 0.982 39.609 38.460 0.278 0.000 1.192 380 Y HN 0.497 nan 8.280 nan 0.000 0.458 381 N N 6.566 125.109 118.700 -0.261 0.000 2.410 381 N HA 0.204 4.944 4.740 0.000 0.000 0.287 381 N C -2.001 173.328 175.510 -0.303 0.000 1.044 381 N CA -0.416 52.534 53.050 -0.168 0.000 0.881 381 N CB 1.689 40.117 38.487 -0.098 0.000 1.405 381 N HN 0.643 nan 8.380 nan 0.000 0.490 382 F N 4.013 123.802 119.950 -0.268 0.000 2.359 382 F HA 0.451 4.978 4.527 0.000 0.000 0.370 382 F C -2.176 173.505 175.800 -0.198 0.000 1.077 382 F CA -1.785 56.070 58.000 -0.242 0.000 1.136 382 F CB 0.902 39.852 39.000 -0.084 0.000 1.387 382 F HN 0.271 nan 8.300 nan 0.000 0.468 383 P HA 0.255 nan 4.420 nan 0.000 0.276 383 P C -2.138 174.830 177.300 -0.554 0.000 1.244 383 P CA -1.424 61.393 63.100 -0.473 0.000 0.801 383 P CB 0.429 31.715 31.700 -0.690 0.000 1.006 384 P HA -0.143 nan 4.420 nan 0.000 0.223 384 P C 1.089 178.293 177.300 -0.160 0.000 1.151 384 P CA 1.324 64.336 63.100 -0.146 0.000 0.787 384 P CB -0.319 31.370 31.700 -0.017 0.000 0.788 385 Y N -1.692 118.516 120.300 -0.153 0.000 2.583 385 Y HA 0.300 4.850 4.550 0.000 0.000 0.293 385 Y C 2.532 178.328 175.900 -0.173 0.000 1.157 385 Y CA 0.694 58.713 58.100 -0.134 0.000 1.315 385 Y CB -1.614 36.782 38.460 -0.106 0.000 1.021 385 Y HN -0.106 nan 8.280 nan 0.000 0.536 386 S N 1.565 116.919 115.700 -0.577 0.000 2.383 386 S HA -0.127 4.343 4.470 0.000 0.000 0.227 386 S C 1.978 176.423 174.600 -0.258 0.000 1.026 386 S CA 2.297 60.194 58.200 -0.504 0.000 0.981 386 S CB -1.089 61.577 63.200 -0.891 0.000 0.818 386 S HN 0.488 nan 8.310 nan 0.000 0.472 387 V N -3.136 116.648 119.914 -0.216 0.000 3.354 387 V HA 0.576 4.696 4.120 0.000 0.000 0.258 387 V C 1.414 177.453 176.094 -0.091 0.000 1.159 387 V CA 0.520 62.755 62.300 -0.109 0.000 1.125 387 V CB -0.557 31.243 31.823 -0.039 0.000 0.774 387 V HN 1.313 nan 8.190 nan 0.000 0.464 388 G N 0.025 108.790 108.800 -0.059 0.000 2.288 388 G HA2 -0.143 3.818 3.960 0.000 0.000 0.205 388 G HA3 -0.143 3.818 3.960 0.000 0.000 0.205 388 G C -0.325 174.568 174.900 -0.011 0.000 1.071 388 G CA 0.184 45.273 45.100 -0.019 0.000 0.788 388 G HN 0.658 nan 8.290 nan 0.000 0.491 389 E N -0.700 119.496 120.200 -0.007 0.000 2.431 389 E HA 0.733 5.083 4.350 0.000 0.000 0.268 389 E C -0.050 176.559 176.600 0.015 0.000 0.953 389 E CA -0.511 55.891 56.400 0.003 0.000 0.810 389 E CB 1.590 31.291 29.700 0.001 0.000 1.369 389 E HN 0.372 nan 8.360 nan 0.000 0.440 390 T N -1.466 113.098 114.554 0.016 0.000 2.823 390 T HA 0.796 5.146 4.350 0.000 0.000 0.279 390 T C 0.079 174.790 174.700 0.019 0.000 0.998 390 T CA -0.682 61.430 62.100 0.020 0.000 0.994 390 T CB 1.574 70.452 68.868 0.017 0.000 0.960 390 T HN 0.596 nan 8.240 nan 0.000 0.448 391 G N 1.333 110.146 108.800 0.021 0.000 2.645 391 G HA2 0.566 4.526 3.960 0.000 0.000 0.292 391 G HA3 0.566 4.526 3.960 0.000 0.000 0.292 391 G C -1.559 173.353 174.900 0.021 0.000 1.415 391 G CA -1.129 43.984 45.100 0.021 0.000 0.785 391 G HN 0.914 nan 8.290 nan 0.000 0.483 392 M N 1.281 120.893 119.600 0.020 0.000 2.144 392 M HA 0.572 5.052 4.480 0.000 0.000 0.356 392 M C -0.981 175.332 176.300 0.021 0.000 1.217 392 M CA -0.552 54.759 55.300 0.018 0.000 1.087 392 M CB 1.196 33.805 32.600 0.015 0.000 1.609 392 M HN 0.183 nan 8.290 nan 0.000 0.467 393 V N 5.411 125.337 119.914 0.020 0.000 2.398 393 V HA 0.840 4.960 4.120 0.000 0.000 0.286 393 V C 0.453 176.556 176.094 0.015 0.000 1.026 393 V CA 0.034 62.346 62.300 0.020 0.000 0.868 393 V CB 0.742 32.578 31.823 0.023 0.000 0.982 393 V HN 1.143 nan 8.190 nan 0.000 0.443 394 G N 3.153 111.963 108.800 0.016 0.000 3.178 394 G HA2 0.127 4.088 3.960 0.000 0.000 0.134 394 G HA3 0.127 4.088 3.960 0.000 0.000 0.134 394 G C -0.015 174.893 174.900 0.013 0.000 1.143 394 G CA 0.416 45.522 45.100 0.011 0.000 1.487 394 G HN 0.665 nan 8.290 nan 0.000 0.711 395 S N 3.151 118.861 115.700 0.017 0.000 2.523 395 S HA 0.593 5.063 4.470 0.000 0.000 0.275 395 S C -1.957 172.664 174.600 0.035 0.000 1.281 395 S CA -0.927 57.285 58.200 0.022 0.000 1.050 395 S CB 0.826 64.037 63.200 0.019 0.000 0.937 395 S HN 0.385 nan 8.310 nan 0.000 0.492 396 P HA 0.225 nan 4.420 nan 0.000 0.269 396 P C -0.640 176.700 177.300 0.066 0.000 1.209 396 P CA -0.217 62.926 63.100 0.071 0.000 0.776 396 P CB 0.529 32.284 31.700 0.093 0.000 0.876 397 K N 1.196 121.639 120.400 0.072 0.000 2.240 397 K HA 0.327 4.647 4.320 0.000 0.000 0.237 397 K C 1.654 178.283 176.600 0.048 0.000 1.027 397 K CA -0.727 55.590 56.287 0.049 0.000 0.937 397 K CB 0.959 33.481 32.500 0.037 0.000 1.171 397 K HN 0.231 nan 8.250 nan 0.000 0.479 398 R N 0.552 121.070 120.500 0.030 0.000 2.148 398 R HA -0.045 4.295 4.340 0.000 0.000 0.227 398 R C 2.037 178.353 176.300 0.027 0.000 1.103 398 R CA 0.998 57.115 56.100 0.028 0.000 0.983 398 R CB 0.037 30.349 30.300 0.020 0.000 0.874 398 R HN 0.292 nan 8.270 nan 0.000 0.451 399 R N 1.181 121.680 120.500 -0.002 0.000 2.057 399 R HA -0.106 4.234 4.340 0.000 0.000 0.229 399 R C 1.862 178.094 176.300 -0.113 0.000 1.136 399 R CA 1.576 57.644 56.100 -0.052 0.000 0.952 399 R CB -0.468 29.733 30.300 -0.165 0.000 0.848 399 R HN 0.488 nan 8.270 nan 0.000 0.430 400 E N 0.358 120.541 120.200 -0.029 0.000 2.512 400 E HA -0.033 4.317 4.350 0.000 0.000 0.195 400 E C 1.630 178.360 176.600 0.217 0.000 1.083 400 E CA 0.346 56.870 56.400 0.207 0.000 0.873 400 E CB -0.145 29.796 29.700 0.401 0.000 0.897 400 E HN 0.349 nan 8.360 nan 0.000 0.514 401 I N -0.127 120.498 120.570 0.090 0.000 2.900 401 I HA 0.147 4.317 4.170 0.000 0.000 0.251 401 I C 2.078 178.215 176.117 0.032 0.000 1.102 401 I CA 0.685 62.043 61.300 0.097 0.000 1.457 401 I CB 0.060 38.110 38.000 0.083 0.000 1.285 401 I HN 0.174 nan 8.210 nan 0.000 0.459 402 G N -0.863 107.944 108.800 0.012 0.000 2.708 402 G HA2 -0.193 3.767 3.960 0.000 0.000 0.210 402 G HA3 -0.193 3.767 3.960 0.000 0.000 0.210 402 G C 0.852 175.641 174.900 -0.185 0.000 1.141 402 G CA 0.464 45.526 45.100 -0.062 0.000 0.788 402 G HN 0.479 nan 8.290 nan 0.000 0.531 403 H N -1.005 117.834 119.070 -0.386 0.000 2.639 403 H HA 0.181 4.737 4.556 0.000 0.000 0.267 403 H C 2.624 177.661 175.328 -0.484 0.000 0.958 403 H CA 0.600 56.285 56.048 -0.604 0.000 1.221 403 H CB 0.343 29.320 29.762 -1.308 0.000 1.446 403 H HN 0.250 nan 8.280 nan 0.000 0.512 404 G N 0.373 109.089 108.800 -0.140 0.000 2.402 404 G HA2 -0.263 3.697 3.960 0.000 0.000 0.216 404 G HA3 -0.263 3.697 3.960 0.000 0.000 0.216 404 G C 1.811 176.685 174.900 -0.044 0.000 1.162 404 G CA 0.570 45.731 45.100 0.102 0.000 0.777 404 G HN 0.199 nan 8.290 nan 0.000 0.539 405 R N 0.173 120.633 120.500 -0.066 0.000 2.115 405 R HA 0.216 4.556 4.340 0.000 0.000 0.226 405 R C 2.387 178.584 176.300 -0.171 0.000 1.100 405 R CA 0.753 56.799 56.100 -0.090 0.000 0.980 405 R CB -0.844 29.422 30.300 -0.057 0.000 0.875 405 R HN 0.382 nan 8.270 nan 0.000 0.445 406 L N -0.379 120.715 121.223 -0.214 0.000 2.012 406 L HA -0.141 4.199 4.340 0.000 0.000 0.210 406 L C 1.988 178.698 176.870 -0.266 0.000 1.073 406 L CA 1.848 56.542 54.840 -0.244 0.000 0.748 406 L CB -0.409 41.461 42.059 -0.316 0.000 0.891 406 L HN 0.350 nan 8.230 nan 0.000 0.431 407 A N -1.093 121.514 122.820 -0.355 0.000 2.067 407 A HA -0.185 4.135 4.320 0.000 0.000 0.217 407 A C 2.310 179.438 177.584 -0.760 0.000 1.156 407 A CA 1.282 53.011 52.037 -0.515 0.000 0.683 407 A CB -0.338 18.330 19.000 -0.554 0.000 0.808 407 A HN 0.388 nan 8.150 nan 0.000 0.455 408 K N -0.138 119.861 120.400 -0.669 0.000 2.103 408 K HA -0.072 4.248 4.320 0.000 0.000 0.204 408 K C 2.115 178.627 176.600 -0.146 0.000 1.052 408 K CA 0.981 57.093 56.287 -0.292 0.000 0.945 408 K CB -0.118 32.368 32.500 -0.023 0.000 0.722 408 K HN 0.427 nan 8.250 nan 0.000 0.443 409 R N -0.702 119.698 120.500 -0.167 0.000 2.148 409 R HA -0.057 4.284 4.340 0.000 0.000 0.227 409 R C 2.202 178.420 176.300 -0.136 0.000 1.103 409 R CA 1.134 57.156 56.100 -0.130 0.000 0.983 409 R CB -0.180 30.046 30.300 -0.123 0.000 0.874 409 R HN 0.253 nan 8.270 nan 0.000 0.451 410 G N -0.301 108.407 108.800 -0.153 0.000 2.650 410 G HA2 -0.059 3.901 3.960 0.000 0.000 0.214 410 G HA3 -0.059 3.901 3.960 0.000 0.000 0.214 410 G C 1.161 175.993 174.900 -0.114 0.000 1.136 410 G CA 0.256 45.283 45.100 -0.123 0.000 0.789 410 G HN 0.135 nan 8.290 nan 0.000 0.536 411 V N -0.271 119.559 119.914 -0.140 0.000 3.455 411 V HA 0.161 4.281 4.120 0.000 0.000 0.250 411 V C 2.263 178.161 176.094 -0.327 0.000 1.230 411 V CA 0.156 62.353 62.300 -0.171 0.000 1.105 411 V CB 0.350 32.145 31.823 -0.047 0.000 0.850 411 V HN 0.264 nan 8.190 nan 0.000 0.461 412 L N 1.686 122.716 121.223 -0.323 0.000 2.079 412 L HA -0.095 4.245 4.340 0.000 0.000 0.210 412 L C 2.396 179.142 176.870 -0.207 0.000 1.081 412 L CA 2.415 57.063 54.840 -0.319 0.000 0.752 412 L CB -0.547 41.407 42.059 -0.176 0.000 0.896 412 L HN 0.266 nan 8.230 nan 0.000 0.433 413 A N -1.897 120.832 122.820 -0.152 0.000 2.066 413 A HA -0.024 4.296 4.320 0.000 0.000 0.218 413 A C 2.087 179.609 177.584 -0.104 0.000 1.157 413 A CA 1.468 53.441 52.037 -0.107 0.000 0.670 413 A CB -0.542 18.406 19.000 -0.088 0.000 0.804 413 A HN 0.304 nan 8.150 nan 0.000 0.453 414 V N -0.246 119.591 119.914 -0.128 0.000 2.685 414 V HA 0.012 4.132 4.120 0.000 0.000 0.244 414 V C 1.164 177.189 176.094 -0.115 0.000 1.054 414 V CA 0.316 62.552 62.300 -0.107 0.000 1.076 414 V CB -0.628 31.136 31.823 -0.098 0.000 0.725 414 V HN 0.446 nan 8.190 nan 0.000 0.467 415 M N 2.438 121.932 119.600 -0.175 0.000 2.248 415 M HA 0.130 4.610 4.480 0.000 0.000 0.343 415 M C -2.026 174.232 176.300 -0.070 0.000 1.243 415 M CA -1.354 53.852 55.300 -0.156 0.000 1.025 415 M CB -0.403 32.019 32.600 -0.297 0.000 1.759 415 M HN 0.118 nan 8.290 nan 0.000 0.452 416 P HA 0.133 nan 4.420 nan 0.000 0.272 416 P C -0.960 176.383 177.300 0.072 0.000 1.230 416 P CA -0.388 62.728 63.100 0.027 0.000 0.788 416 P CB 0.237 31.963 31.700 0.043 0.000 0.949 417 D N 0.716 121.156 120.400 0.066 0.000 2.414 417 D HA 0.069 4.709 4.640 0.000 0.000 0.251 417 D C 1.559 177.917 176.300 0.096 0.000 1.252 417 D CA -0.399 53.641 54.000 0.066 0.000 0.999 417 D CB 0.058 40.882 40.800 0.040 0.000 1.093 417 D HN 0.101 nan 8.370 nan 0.000 0.515 418 M N -0.026 119.613 119.600 0.066 0.000 2.175 418 M HA -0.088 4.393 4.480 0.000 0.000 0.264 418 M C 0.891 177.212 176.300 0.035 0.000 1.063 418 M CA 1.232 56.561 55.300 0.048 0.000 1.119 418 M CB -0.781 31.832 32.600 0.021 0.000 1.377 418 M HN 0.423 nan 8.290 nan 0.000 0.415 419 D N 0.123 120.545 120.400 0.037 0.000 2.178 419 D HA -0.122 4.518 4.640 0.000 0.000 0.202 419 D C 2.028 178.359 176.300 0.052 0.000 0.974 419 D CA 1.078 55.095 54.000 0.028 0.000 0.841 419 D CB -0.054 40.760 40.800 0.023 0.000 0.953 419 D HN 0.367 nan 8.370 nan 0.000 0.478 420 K N -1.074 119.380 120.400 0.090 0.000 2.067 420 K HA -0.033 4.287 4.320 0.000 0.000 0.203 420 K C -0.079 176.662 176.600 0.235 0.000 1.048 420 K CA 0.357 56.723 56.287 0.132 0.000 0.954 420 K CB 0.264 32.836 32.500 0.121 0.000 0.737 420 K HN -0.009 nan 8.250 nan 0.000 0.444 421 F N 2.816 122.809 119.950 0.071 0.000 2.552 421 F HA 0.351 4.878 4.527 0.000 0.000 0.369 421 F C -2.531 173.350 175.800 0.135 0.000 1.112 421 F CA -2.820 55.263 58.000 0.137 0.000 1.129 421 F CB 1.693 40.770 39.000 0.129 0.000 1.360 421 F HN -0.074 nan 8.300 nan 0.000 0.473 422 P HA 0.205 nan 4.420 nan 0.000 0.219 422 P C -1.670 175.237 177.300 -0.655 0.000 1.832 422 P CA 0.138 63.039 63.100 -0.332 0.000 1.014 422 P CB -0.452 31.065 31.700 -0.305 0.000 1.939 423 Y N -0.394 119.628 120.300 -0.462 0.000 2.457 423 Y HA 0.317 4.867 4.550 0.000 0.000 0.343 423 Y C 0.834 176.673 175.900 -0.101 0.000 0.994 423 Y CA -0.774 57.105 58.100 -0.367 0.000 1.031 423 Y CB 1.788 39.861 38.460 -0.645 0.000 1.246 423 Y HN -0.068 nan 8.280 nan 0.000 0.449 424 T N 0.415 115.019 114.554 0.082 0.000 2.727 424 T HA 0.481 4.831 4.350 0.000 0.000 0.295 424 T C -0.396 174.364 174.700 0.100 0.000 0.915 424 T CA -0.589 61.563 62.100 0.087 0.000 1.066 424 T CB -0.176 68.715 68.868 0.039 0.000 0.891 424 T HN 0.307 nan 8.240 nan 0.000 0.516 425 V N 4.885 124.878 119.914 0.131 0.000 2.370 425 V HA 0.471 4.591 4.120 0.000 0.000 0.279 425 V C 0.556 176.570 176.094 -0.133 0.000 1.029 425 V CA -0.905 61.442 62.300 0.079 0.000 0.870 425 V CB 1.079 33.048 31.823 0.245 0.000 0.984 425 V HN 0.876 nan 8.190 nan 0.000 0.451 426 R N 3.815 124.231 120.500 -0.140 0.000 2.295 426 R HA 0.655 4.995 4.340 0.000 0.000 0.324 426 R C -1.606 174.532 176.300 -0.270 0.000 0.968 426 R CA -0.385 55.579 56.100 -0.226 0.000 0.837 426 R CB 1.705 31.956 30.300 -0.081 0.000 1.133 426 R HN 0.562 nan 8.270 nan 0.000 0.450 427 V N 5.625 125.244 119.914 -0.492 0.000 2.357 427 V HA 0.324 4.444 4.120 0.000 0.000 0.284 427 V C -0.252 175.468 176.094 -0.623 0.000 1.018 427 V CA -0.757 61.206 62.300 -0.562 0.000 0.841 427 V CB 1.660 33.031 31.823 -0.752 0.000 0.991 427 V HN 0.460 nan 8.190 nan 0.000 0.437 428 V N 3.576 123.289 119.914 -0.336 0.000 2.417 428 V HA 0.521 4.641 4.120 0.000 0.000 0.291 428 V C 0.233 176.230 176.094 -0.160 0.000 1.024 428 V CA -0.308 61.880 62.300 -0.185 0.000 0.861 428 V CB 1.839 33.627 31.823 -0.058 0.000 0.985 428 V HN 0.819 nan 8.190 nan 0.000 0.436 429 S N 3.678 119.324 115.700 -0.088 0.000 2.456 429 S HA 0.512 4.982 4.470 0.000 0.000 0.316 429 S C -0.639 173.920 174.600 -0.069 0.000 1.089 429 S CA -0.631 57.556 58.200 -0.021 0.000 1.101 429 S CB 0.643 63.927 63.200 0.140 0.000 0.995 429 S HN 0.727 nan 8.310 nan 0.000 0.468 430 E N 4.243 124.408 120.200 -0.058 0.000 2.165 430 E HA 0.389 4.739 4.350 0.000 0.000 0.266 430 E C -0.696 175.844 176.600 -0.098 0.000 0.889 430 E CA -0.389 55.960 56.400 -0.085 0.000 0.756 430 E CB 1.545 31.227 29.700 -0.030 0.000 1.131 430 E HN 0.632 nan 8.360 nan 0.000 0.411 431 I N 1.897 122.343 120.570 -0.206 0.000 2.353 431 I HA 0.140 4.310 4.170 0.000 0.000 0.293 431 I C 1.405 177.346 176.117 -0.294 0.000 0.992 431 I CA -0.058 61.106 61.300 -0.226 0.000 1.268 431 I CB 1.312 39.133 38.000 -0.298 0.000 1.387 431 I HN 0.494 nan 8.210 nan 0.000 0.478 432 T N 0.502 114.974 114.554 -0.136 0.000 2.978 432 T HA 0.310 4.660 4.350 0.000 0.000 0.248 432 T C 0.473 175.140 174.700 -0.056 0.000 1.018 432 T CA -0.091 62.000 62.100 -0.016 0.000 1.026 432 T CB 0.223 69.166 68.868 0.126 0.000 1.032 432 T HN 0.516 nan 8.240 nan 0.000 0.485 433 E N 0.749 120.905 120.200 -0.073 0.000 2.292 433 E HA 0.617 4.967 4.350 0.000 0.000 0.272 433 E C -1.631 174.945 176.600 -0.040 0.000 0.881 433 E CA -0.645 55.723 56.400 -0.053 0.000 0.754 433 E CB 2.334 32.029 29.700 -0.008 0.000 1.201 433 E HN 0.107 nan 8.360 nan 0.000 0.425 434 S N 1.873 117.557 115.700 -0.026 0.000 2.779 434 S HA 0.371 4.842 4.470 0.000 0.000 0.293 434 S C -0.593 174.058 174.600 0.085 0.000 1.150 434 S CA -0.351 57.892 58.200 0.072 0.000 1.057 434 S CB 0.710 64.003 63.200 0.155 0.000 1.021 434 S HN 0.629 nan 8.310 nan 0.000 0.485 435 N N 3.784 122.547 118.700 0.106 0.000 2.357 435 N HA 0.293 5.033 4.740 0.000 0.000 0.260 435 N C 0.957 176.542 175.510 0.126 0.000 1.035 435 N CA 0.968 54.083 53.050 0.108 0.000 0.839 435 N CB -0.031 38.509 38.487 0.089 0.000 1.723 435 N HN 0.624 nan 8.380 nan 0.000 0.617 436 G N -0.146 108.727 108.800 0.120 0.000 2.928 436 G HA2 0.249 4.209 3.960 0.000 0.000 0.163 436 G HA3 0.249 4.209 3.960 0.000 0.000 0.163 436 G C -0.773 174.206 174.900 0.131 0.000 1.573 436 G CA -0.150 45.021 45.100 0.118 0.000 1.084 436 G HN 0.198 nan 8.290 nan 0.000 0.569 437 S N -0.521 115.260 115.700 0.136 0.000 2.411 437 S HA 0.342 4.812 4.470 0.000 0.000 0.294 437 S C 1.463 176.185 174.600 0.203 0.000 1.115 437 S CA 0.140 58.431 58.200 0.151 0.000 1.071 437 S CB 0.819 64.091 63.200 0.119 0.000 0.967 437 S HN 0.678 nan 8.310 nan 0.000 0.488 438 S N 3.708 119.564 115.700 0.260 0.000 2.496 438 S HA -0.021 4.449 4.470 0.000 0.000 0.224 438 S C 1.735 176.581 174.600 0.410 0.000 0.996 438 S CA 0.525 58.925 58.200 0.334 0.000 0.927 438 S CB -0.167 63.282 63.200 0.414 0.000 0.774 438 S HN 0.585 nan 8.310 nan 0.000 0.524 439 S N 2.186 118.105 115.700 0.364 0.000 2.371 439 S HA 0.132 4.602 4.470 0.000 0.000 0.224 439 S C 1.937 176.629 174.600 0.153 0.000 1.029 439 S CA 1.135 59.492 58.200 0.261 0.000 0.978 439 S CB -0.316 62.931 63.200 0.080 0.000 0.833 439 S HN 0.404 nan 8.310 nan 0.000 0.466 440 M N 1.125 120.801 119.600 0.127 0.000 2.319 440 M HA 0.137 4.617 4.480 0.000 0.000 0.265 440 M C 2.375 178.741 176.300 0.110 0.000 1.068 440 M CA 0.852 56.205 55.300 0.088 0.000 1.118 440 M CB -1.359 31.293 32.600 0.086 0.000 1.395 440 M HN 0.367 nan 8.290 nan 0.000 0.435 441 A N -0.288 122.646 122.820 0.189 0.000 2.014 441 A HA -0.045 4.275 4.320 0.000 0.000 0.218 441 A C 2.410 180.096 177.584 0.170 0.000 1.163 441 A CA 1.570 53.754 52.037 0.244 0.000 0.652 441 A CB -0.511 18.690 19.000 0.335 0.000 0.808 441 A HN 0.443 nan 8.150 nan 0.000 0.449 442 S N -0.396 115.433 115.700 0.216 0.000 2.406 442 S HA -0.078 4.392 4.470 0.000 0.000 0.228 442 S C 1.825 176.564 174.600 0.232 0.000 1.020 442 S CA 1.247 59.613 58.200 0.276 0.000 0.965 442 S CB -0.239 63.223 63.200 0.437 0.000 0.798 442 S HN 0.364 nan 8.310 nan 0.000 0.488 443 V N 1.055 121.032 119.914 0.105 0.000 2.358 443 V HA -0.193 3.927 4.120 0.000 0.000 0.246 443 V C 2.393 178.463 176.094 -0.040 0.000 1.047 443 V CA 1.368 63.692 62.300 0.039 0.000 1.035 443 V CB -0.961 30.848 31.823 -0.024 0.000 0.658 443 V HN 0.567 nan 8.190 nan 0.000 0.452 444 C N 1.025 120.211 119.300 -0.190 0.000 2.440 444 C HA -0.009 4.451 4.460 0.000 0.000 0.278 444 C C 2.888 177.622 174.990 -0.426 0.000 1.295 444 C CA 0.737 59.479 59.018 -0.459 0.000 1.738 444 C CB -1.653 25.459 27.740 -1.048 0.000 1.987 444 C HN 0.668 nan 8.230 nan 0.000 0.492 445 G N 0.138 108.780 108.800 -0.264 0.000 2.448 445 G HA2 0.109 4.069 3.960 0.000 0.000 0.218 445 G HA3 0.109 4.069 3.960 0.000 0.000 0.218 445 G C 1.813 176.733 174.900 0.034 0.000 1.135 445 G CA 0.877 45.949 45.100 -0.047 0.000 0.784 445 G HN 0.592 nan 8.290 nan 0.000 0.543 446 A N 0.676 123.554 122.820 0.097 0.000 1.898 446 A HA 0.025 4.345 4.320 0.000 0.000 0.216 446 A C 2.590 180.237 177.584 0.104 0.000 1.181 446 A CA 2.142 54.281 52.037 0.170 0.000 0.620 446 A CB -0.744 18.499 19.000 0.405 0.000 0.819 446 A HN 0.373 nan 8.150 nan 0.000 0.442 447 S N -0.619 115.110 115.700 0.048 0.000 2.402 447 S HA -0.052 4.418 4.470 0.000 0.000 0.229 447 S C 1.828 176.431 174.600 0.005 0.000 1.021 447 S CA 1.316 59.525 58.200 0.014 0.000 0.974 447 S CB -0.452 62.735 63.200 -0.022 0.000 0.800 447 S HN 0.479 nan 8.310 nan 0.000 0.484 448 L N 0.668 121.891 121.223 0.001 0.000 2.179 448 L HA 0.127 4.467 4.340 0.000 0.000 0.208 448 L C 2.789 179.674 176.870 0.025 0.000 1.096 448 L CA 0.956 55.805 54.840 0.015 0.000 0.779 448 L CB -0.488 41.591 42.059 0.033 0.000 0.922 448 L HN 0.349 nan 8.230 nan 0.000 0.443 449 A N 0.015 122.854 122.820 0.031 0.000 1.970 449 A HA -0.038 4.282 4.320 0.000 0.000 0.216 449 A C 2.223 179.823 177.584 0.027 0.000 1.170 449 A CA 0.958 53.013 52.037 0.030 0.000 0.645 449 A CB -0.431 18.584 19.000 0.024 0.000 0.816 449 A HN 0.316 nan 8.150 nan 0.000 0.447 450 L N -1.176 120.066 121.223 0.032 0.000 2.109 450 L HA -0.112 4.228 4.340 0.000 0.000 0.207 450 L C 2.760 179.615 176.870 -0.024 0.000 1.086 450 L CA 1.217 56.067 54.840 0.018 0.000 0.760 450 L CB -0.380 41.700 42.059 0.036 0.000 0.910 450 L HN 0.376 nan 8.230 nan 0.000 0.437 451 M N -0.791 118.797 119.600 -0.020 0.000 2.254 451 M HA -0.186 4.294 4.480 0.000 0.000 0.265 451 M C 1.688 177.976 176.300 -0.020 0.000 1.066 451 M CA 1.374 56.655 55.300 -0.032 0.000 1.123 451 M CB -0.326 32.260 32.600 -0.022 0.000 1.388 451 M HN 0.166 nan 8.290 nan 0.000 0.425 452 D N 0.382 120.781 120.400 -0.002 0.000 2.149 452 D HA -0.031 4.610 4.640 0.000 0.000 0.201 452 D C 1.837 178.145 176.300 0.013 0.000 0.972 452 D CA 1.378 55.383 54.000 0.008 0.000 0.835 452 D CB 0.221 41.033 40.800 0.019 0.000 0.966 452 D HN 0.249 nan 8.370 nan 0.000 0.476 453 A N -0.596 122.232 122.820 0.014 0.000 1.968 453 A HA 0.364 4.684 4.320 0.000 0.000 0.217 453 A C 1.749 179.327 177.584 -0.010 0.000 1.169 453 A CA 1.338 53.392 52.037 0.027 0.000 0.638 453 A CB -0.352 18.669 19.000 0.034 0.000 0.812 453 A HN 0.504 nan 8.150 nan 0.000 0.446 454 G N -1.574 107.195 108.800 -0.052 0.000 2.237 454 G HA2 -0.031 3.929 3.960 0.000 0.000 0.153 454 G HA3 -0.031 3.929 3.960 0.000 0.000 0.153 454 G C -0.259 174.501 174.900 -0.234 0.000 1.039 454 G CA -0.177 44.867 45.100 -0.094 0.000 0.719 454 G HN 0.787 nan 8.290 nan 0.000 0.491 455 V N 1.082 120.828 119.914 -0.281 0.000 2.364 455 V HA 0.429 4.549 4.120 0.000 0.000 0.272 455 V C -1.655 174.187 176.094 -0.418 0.000 1.036 455 V CA -1.602 60.370 62.300 -0.545 0.000 0.880 455 V CB 1.625 33.263 31.823 -0.309 0.000 0.991 455 V HN 0.181 nan 8.190 nan 0.000 0.460 456 P HA 0.223 nan 4.420 nan 0.000 0.249 456 P C 0.045 177.231 177.300 -0.189 0.000 1.737 456 P CA -0.088 62.850 63.100 -0.270 0.000 1.128 456 P CB -0.393 31.174 31.700 -0.222 0.000 1.942 457 I N -1.976 118.505 120.570 -0.147 0.000 2.823 457 I HA 0.235 4.405 4.170 0.000 0.000 0.290 457 I C 1.311 177.385 176.117 -0.072 0.000 1.091 457 I CA -0.550 60.691 61.300 -0.099 0.000 1.365 457 I CB 1.013 38.965 38.000 -0.081 0.000 1.427 457 I HN -0.037 nan 8.210 nan 0.000 0.583 458 K N 2.901 123.265 120.400 -0.060 0.000 2.002 458 K HA 0.109 4.429 4.320 0.000 0.000 0.209 458 K C 0.597 177.173 176.600 -0.040 0.000 1.048 458 K CA 1.669 57.929 56.287 -0.046 0.000 0.930 458 K CB -0.156 32.319 32.500 -0.042 0.000 0.714 458 K HN 0.859 nan 8.250 nan 0.000 0.438 459 A N -0.247 122.547 122.820 -0.042 0.000 2.602 459 A HA 0.662 4.982 4.320 0.000 0.000 0.290 459 A C -1.632 175.930 177.584 -0.036 0.000 1.114 459 A CA -0.668 51.348 52.037 -0.035 0.000 0.683 459 A CB 1.218 20.201 19.000 -0.030 0.000 1.281 459 A HN 0.144 nan 8.150 nan 0.000 0.416 460 A N -0.061 122.741 122.820 -0.029 0.000 2.450 460 A HA 0.535 4.855 4.320 0.000 0.000 0.255 460 A C -0.097 177.469 177.584 -0.031 0.000 1.096 460 A CA -0.010 52.010 52.037 -0.028 0.000 0.778 460 A CB 0.092 19.078 19.000 -0.022 0.000 1.031 460 A HN 1.974 nan 8.150 nan 0.000 0.494 461 V N 2.425 122.317 119.914 -0.036 0.000 2.495 461 V HA 0.820 4.940 4.120 0.000 0.000 0.298 461 V C 0.181 176.245 176.094 -0.051 0.000 1.031 461 V CA 0.473 62.750 62.300 -0.040 0.000 0.871 461 V CB 1.289 33.086 31.823 -0.043 0.000 0.988 461 V HN 1.590 nan 8.190 nan 0.000 0.432 462 A N 4.314 127.109 122.820 -0.041 0.000 2.524 462 A HA 1.095 5.415 4.320 0.000 0.000 0.289 462 A C -0.083 177.491 177.584 -0.015 0.000 1.248 462 A CA -0.299 51.711 52.037 -0.046 0.000 0.712 462 A CB 1.674 20.658 19.000 -0.025 0.000 1.312 462 A HN 2.250 nan 8.150 nan 0.000 0.441 463 G N -1.432 107.374 108.800 0.009 0.000 2.358 463 G HA2 0.608 4.568 3.960 0.000 0.000 0.303 463 G HA3 0.608 4.568 3.960 0.000 0.000 0.303 463 G C -1.174 173.766 174.900 0.065 0.000 1.537 463 G CA 0.004 45.125 45.100 0.036 0.000 0.928 463 G HN 1.866 nan 8.290 nan 0.000 0.656 464 I N -1.891 118.727 120.570 0.079 0.000 3.264 464 I HA 0.947 5.117 4.170 0.000 0.000 0.315 464 I C 0.225 176.398 176.117 0.093 0.000 1.154 464 I CA -1.630 59.728 61.300 0.096 0.000 0.962 464 I CB 1.955 40.021 38.000 0.109 0.000 1.265 464 I HN 1.096 nan 8.210 nan 0.000 0.463 465 A N 3.314 126.191 122.820 0.096 0.000 2.303 465 A HA 0.863 5.183 4.320 0.000 0.000 0.317 465 A C -0.321 177.332 177.584 0.116 0.000 1.149 465 A CA -0.630 51.469 52.037 0.104 0.000 0.822 465 A CB 0.945 19.993 19.000 0.080 0.000 1.131 465 A HN 0.650 nan 8.150 nan 0.000 0.493 466 M N 1.311 121.008 119.600 0.161 0.000 2.578 466 M HA 0.573 5.053 4.480 0.000 0.000 0.321 466 M C 0.367 176.726 176.300 0.098 0.000 1.182 466 M CA -0.294 55.069 55.300 0.105 0.000 0.965 466 M CB 1.474 34.099 32.600 0.042 0.000 1.694 466 M HN 0.842 nan 8.290 nan 0.000 0.461 467 G N 0.922 109.746 108.800 0.041 0.000 2.630 467 G HA2 0.826 4.786 3.960 0.000 0.000 0.296 467 G HA3 0.826 4.786 3.960 0.000 0.000 0.296 467 G C -2.193 172.714 174.900 0.010 0.000 1.285 467 G CA -0.477 44.646 45.100 0.039 0.000 0.958 467 G HN 0.580 nan 8.290 nan 0.000 0.479 468 L N -0.240 120.995 121.223 0.020 0.000 2.472 468 L HA 0.696 5.036 4.340 0.000 0.000 0.260 468 L C -1.046 175.841 176.870 0.028 0.000 0.963 468 L CA -0.595 54.256 54.840 0.018 0.000 0.829 468 L CB 2.573 44.633 42.059 0.002 0.000 1.348 468 L HN 0.336 nan 8.230 nan 0.000 0.408 469 V N 4.035 123.970 119.914 0.036 0.000 2.462 469 V HA 0.587 4.707 4.120 0.000 0.000 0.257 469 V C -0.028 176.090 176.094 0.040 0.000 0.944 469 V CA -0.123 62.194 62.300 0.028 0.000 0.903 469 V CB 0.795 32.625 31.823 0.012 0.000 1.128 469 V HN 0.785 nan 8.190 nan 0.000 0.486 470 K N 1.015 121.447 120.400 0.054 0.000 2.203 470 K HA 0.817 5.137 4.320 0.000 0.000 0.251 470 K C 0.315 176.939 176.600 0.040 0.000 0.944 470 K CA -0.588 55.743 56.287 0.072 0.000 0.829 470 K CB 1.885 34.462 32.500 0.129 0.000 1.125 470 K HN 0.334 nan 8.250 nan 0.000 0.430 471 E N 0.613 120.833 120.200 0.034 0.000 2.098 471 E HA 0.153 4.503 4.350 0.000 0.000 0.196 471 E C 1.792 178.404 176.600 0.020 0.000 0.955 471 E CA 1.325 57.736 56.400 0.019 0.000 0.936 471 E CB -0.135 29.570 29.700 0.009 0.000 1.054 471 E HN 0.728 nan 8.360 nan 0.000 0.482 472 G N 0.707 109.520 108.800 0.022 0.000 2.728 472 G HA2 -0.051 3.909 3.960 0.000 0.000 0.223 472 G HA3 -0.051 3.909 3.960 0.000 0.000 0.223 472 G C 0.886 175.807 174.900 0.035 0.000 1.379 472 G CA 0.319 45.431 45.100 0.020 0.000 0.870 472 G HN 0.063 nan 8.290 nan 0.000 0.591 473 D N 0.145 120.571 120.400 0.043 0.000 2.454 473 D HA 0.111 4.751 4.640 0.000 0.000 0.219 473 D C -0.007 176.363 176.300 0.117 0.000 1.081 473 D CA -0.107 53.936 54.000 0.072 0.000 0.867 473 D CB 0.341 41.168 40.800 0.044 0.000 1.054 473 D HN 0.017 nan 8.370 nan 0.000 0.500 474 N N 1.114 119.850 118.700 0.060 0.000 2.499 474 N HA 0.216 4.956 4.740 0.000 0.000 0.281 474 N C -0.597 174.958 175.510 0.074 0.000 1.098 474 N CA -0.110 52.939 53.050 -0.001 0.000 0.979 474 N CB 0.795 39.253 38.487 -0.048 0.000 1.121 474 N HN 0.127 nan 8.380 nan 0.000 0.466 475 Y N -1.843 118.439 120.300 -0.029 0.000 2.534 475 Y HA 0.745 5.295 4.550 0.000 0.000 0.345 475 Y C -1.199 174.679 175.900 -0.038 0.000 1.031 475 Y CA -1.211 56.869 58.100 -0.034 0.000 1.022 475 Y CB 0.894 39.330 38.460 -0.040 0.000 1.292 475 Y HN 0.083 nan 8.280 nan 0.000 0.459 476 V N 3.513 123.485 119.914 0.096 0.000 2.525 476 V HA 0.452 4.572 4.120 0.000 0.000 0.299 476 V C -0.677 175.459 176.094 0.070 0.000 1.034 476 V CA -0.944 61.374 62.300 0.030 0.000 0.863 476 V CB 1.598 33.412 31.823 -0.016 0.000 0.999 476 V HN 0.763 nan 8.190 nan 0.000 0.423 477 V N 6.396 126.346 119.914 0.061 0.000 2.432 477 V HA 0.444 4.564 4.120 0.000 0.000 0.275 477 V C -0.157 175.931 176.094 -0.010 0.000 1.043 477 V CA -0.342 61.964 62.300 0.010 0.000 0.925 477 V CB 1.184 32.995 31.823 -0.020 0.000 0.985 477 V HN 0.605 nan 8.190 nan 0.000 0.466 478 L N 3.967 125.183 121.223 -0.012 0.000 2.331 478 L HA 0.588 4.928 4.340 0.000 0.000 0.275 478 L C 0.343 177.212 176.870 -0.000 0.000 1.022 478 L CA 0.270 55.109 54.840 -0.001 0.000 0.812 478 L CB 2.004 44.071 42.059 0.013 0.000 1.257 478 L HN 0.603 nan 8.230 nan 0.000 0.435 479 S N 0.614 116.317 115.700 0.006 0.000 2.454 479 S HA 0.356 4.826 4.470 0.000 0.000 0.306 479 S C -0.806 173.813 174.600 0.032 0.000 1.100 479 S CA -0.506 57.703 58.200 0.015 0.000 1.087 479 S CB 1.063 64.265 63.200 0.003 0.000 1.019 479 S HN 0.717 nan 8.310 nan 0.000 0.480 480 D N 1.915 122.346 120.400 0.051 0.000 3.278 480 D HA -0.173 4.467 4.640 0.000 0.000 0.233 480 D C -0.129 176.209 176.300 0.064 0.000 1.149 480 D CA 0.482 54.521 54.000 0.066 0.000 0.957 480 D CB -1.196 39.644 40.800 0.067 0.000 0.913 480 D HN 0.591 nan 8.370 nan 0.000 0.409 481 I N -1.498 119.113 120.570 0.067 0.000 2.662 481 I HA 0.426 4.596 4.170 0.000 0.000 0.291 481 I C 0.751 176.917 176.117 0.082 0.000 1.046 481 I CA -1.089 60.251 61.300 0.068 0.000 1.361 481 I CB 0.565 38.601 38.000 0.061 0.000 1.429 481 I HN 0.002 nan 8.210 nan 0.000 0.558 482 L N 3.557 124.836 121.223 0.094 0.000 2.543 482 L HA 0.388 4.728 4.340 0.000 0.000 0.231 482 L C 1.810 178.763 176.870 0.138 0.000 1.194 482 L CA 0.584 55.497 54.840 0.121 0.000 0.823 482 L CB 0.545 42.688 42.059 0.140 0.000 1.374 482 L HN 0.841 nan 8.230 nan 0.000 0.507 483 G N -1.413 107.502 108.800 0.191 0.000 2.448 483 G HA2 -0.162 3.798 3.960 0.000 0.000 0.218 483 G HA3 -0.162 3.798 3.960 0.000 0.000 0.218 483 G C 0.925 176.037 174.900 0.353 0.000 1.135 483 G CA 0.369 45.619 45.100 0.250 0.000 0.784 483 G HN 0.664 nan 8.290 nan 0.000 0.543 484 D N 0.402 120.994 120.400 0.320 0.000 2.277 484 D HA 0.013 4.653 4.640 0.000 0.000 0.208 484 D C 2.133 178.544 176.300 0.184 0.000 0.962 484 D CA 0.533 54.709 54.000 0.292 0.000 0.865 484 D CB 0.075 41.054 40.800 0.299 0.000 0.939 484 D HN 0.428 nan 8.370 nan 0.000 0.510 485 E N -0.184 120.101 120.200 0.142 0.000 2.474 485 E HA -0.042 4.308 4.350 0.000 0.000 0.194 485 E C 0.828 177.469 176.600 0.068 0.000 1.041 485 E CA 0.163 56.615 56.400 0.087 0.000 0.874 485 E CB 0.493 30.236 29.700 0.073 0.000 0.914 485 E HN 0.089 nan 8.360 nan 0.000 0.498 486 D N -0.529 119.906 120.400 0.059 0.000 2.338 486 D HA -0.025 4.615 4.640 0.000 0.000 0.224 486 D C 1.478 177.757 176.300 -0.035 0.000 0.967 486 D CA 0.908 54.897 54.000 -0.019 0.000 0.896 486 D CB 0.259 41.001 40.800 -0.097 0.000 1.028 486 D HN 0.142 nan 8.370 nan 0.000 0.493 487 H N -0.758 118.382 119.070 0.117 0.000 2.395 487 H HA 0.197 4.753 4.556 0.000 0.000 0.299 487 H C 1.332 176.737 175.328 0.129 0.000 1.070 487 H CA 0.907 57.036 56.048 0.135 0.000 1.356 487 H CB 0.336 30.204 29.762 0.177 0.000 1.401 487 H HN 0.096 nan 8.280 nan 0.000 0.524 488 L N 0.131 121.475 121.223 0.202 0.000 2.607 488 L HA 0.228 4.568 4.340 0.000 0.000 0.228 488 L C 1.566 178.472 176.870 0.060 0.000 1.123 488 L CA -0.286 54.614 54.840 0.099 0.000 0.890 488 L CB 0.339 42.395 42.059 -0.006 0.000 1.103 488 L HN 0.210 nan 8.230 nan 0.000 0.468 489 G N -0.479 108.362 108.800 0.068 0.000 2.624 489 G HA2 0.070 4.030 3.960 0.000 0.000 0.217 489 G HA3 0.070 4.030 3.960 0.000 0.000 0.217 489 G C 0.125 175.053 174.900 0.046 0.000 1.506 489 G CA 0.069 45.197 45.100 0.046 0.000 1.072 489 G HN 0.064 nan 8.290 nan 0.000 0.568 490 D N -1.399 119.025 120.400 0.040 0.000 2.318 490 D HA 0.134 4.774 4.640 0.000 0.000 0.294 490 D C 0.765 177.087 176.300 0.037 0.000 1.091 490 D CA 0.500 54.521 54.000 0.035 0.000 0.883 490 D CB 0.744 41.560 40.800 0.026 0.000 1.545 490 D HN 0.467 nan 8.370 nan 0.000 0.513 491 M N -0.502 119.126 119.600 0.047 0.000 2.520 491 M HA 0.454 4.934 4.480 0.000 0.000 0.280 491 M C -2.004 174.340 176.300 0.073 0.000 1.232 491 M CA -0.735 54.602 55.300 0.061 0.000 0.892 491 M CB 3.197 35.852 32.600 0.093 0.000 1.728 491 M HN -0.414 nan 8.290 nan 0.000 0.475 492 D N 2.486 122.917 120.400 0.053 0.000 2.493 492 D HA 0.332 4.972 4.640 0.000 0.000 0.235 492 D C -1.706 174.626 176.300 0.052 0.000 1.117 492 D CA -0.119 53.907 54.000 0.042 0.000 0.930 492 D CB 0.183 40.976 40.800 -0.012 0.000 1.010 492 D HN 0.570 nan 8.370 nan 0.000 0.514 493 F N 3.398 123.330 119.950 -0.030 0.000 2.567 493 F HA 0.223 4.750 4.527 0.000 0.000 0.352 493 F C 0.525 176.308 175.800 -0.029 0.000 1.229 493 F CA -0.601 57.379 58.000 -0.033 0.000 1.228 493 F CB 0.049 39.032 39.000 -0.027 0.000 1.568 493 F HN -0.127 nan 8.300 nan 0.000 0.634 494 K N 3.685 124.032 120.400 -0.089 0.000 2.258 494 K HA 0.489 4.809 4.320 0.000 0.000 0.284 494 K C -0.946 175.598 176.600 -0.092 0.000 1.051 494 K CA -0.468 55.786 56.287 -0.055 0.000 0.923 494 K CB 1.663 34.105 32.500 -0.096 0.000 1.046 494 K HN 0.189 nan 8.250 nan 0.000 0.474 495 V N 2.024 121.942 119.914 0.006 0.000 2.531 495 V HA 0.599 4.719 4.120 0.000 0.000 0.301 495 V C -0.751 175.344 176.094 0.001 0.000 1.034 495 V CA -0.952 61.350 62.300 0.004 0.000 0.865 495 V CB 1.616 33.497 31.823 0.096 0.000 0.995 495 V HN 0.870 nan 8.190 nan 0.000 0.424 496 A N 3.269 126.070 122.820 -0.030 0.000 2.359 496 A HA 1.035 5.355 4.320 0.000 0.000 0.303 496 A C -0.064 177.497 177.584 -0.038 0.000 1.066 496 A CA 0.037 52.055 52.037 -0.032 0.000 0.730 496 A CB 1.853 20.821 19.000 -0.053 0.000 1.211 496 A HN 1.510 nan 8.150 nan 0.000 0.439 497 G N 0.170 108.954 108.800 -0.027 0.000 2.523 497 G HA2 0.618 4.579 3.960 0.000 0.000 0.291 497 G HA3 0.618 4.579 3.960 0.000 0.000 0.291 497 G C -0.163 174.723 174.900 -0.023 0.000 1.450 497 G CA 0.242 45.324 45.100 -0.031 0.000 0.790 497 G HN 1.570 nan 8.290 nan 0.000 0.496 498 S N -0.370 115.314 115.700 -0.027 0.000 2.546 498 S HA 0.331 4.801 4.470 0.000 0.000 0.265 498 S C 1.633 176.226 174.600 -0.012 0.000 1.190 498 S CA 0.218 58.405 58.200 -0.022 0.000 1.014 498 S CB 0.992 64.175 63.200 -0.029 0.000 1.087 498 S HN 0.821 nan 8.310 nan 0.000 0.525 499 R N 0.198 120.692 120.500 -0.010 0.000 2.115 499 R HA -0.067 4.273 4.340 0.000 0.000 0.226 499 R C 1.065 177.363 176.300 -0.004 0.000 1.100 499 R CA 1.716 57.814 56.100 -0.003 0.000 0.980 499 R CB -0.391 29.907 30.300 -0.004 0.000 0.875 499 R HN 0.684 nan 8.270 nan 0.000 0.445 500 D N -1.041 119.353 120.400 -0.010 0.000 2.320 500 D HA 0.076 4.716 4.640 0.000 0.000 0.228 500 D C 0.838 177.129 176.300 -0.015 0.000 0.978 500 D CA 1.270 55.264 54.000 -0.011 0.000 0.905 500 D CB 0.044 40.835 40.800 -0.014 0.000 1.051 500 D HN 0.338 nan 8.370 nan 0.000 0.471 501 G N -0.289 108.498 108.800 -0.022 0.000 3.140 501 G HA2 0.628 4.588 3.960 0.000 0.000 0.271 501 G HA3 0.628 4.588 3.960 0.000 0.000 0.271 501 G C -1.065 173.816 174.900 -0.032 0.000 1.370 501 G CA -0.637 44.445 45.100 -0.030 0.000 1.014 501 G HN 0.005 nan 8.290 nan 0.000 0.541 502 I N 0.978 121.522 120.570 -0.042 0.000 2.378 502 I HA 0.222 4.392 4.170 0.000 0.000 0.291 502 I C 1.199 177.280 176.117 -0.061 0.000 0.992 502 I CA -0.528 60.746 61.300 -0.044 0.000 1.154 502 I CB 2.261 40.237 38.000 -0.039 0.000 1.315 502 I HN 0.556 nan 8.210 nan 0.000 0.448 503 S N 3.996 119.658 115.700 -0.063 0.000 2.456 503 S HA 0.439 4.909 4.470 0.000 0.000 0.224 503 S C 0.681 175.230 174.600 -0.085 0.000 1.035 503 S CA 0.122 58.277 58.200 -0.075 0.000 0.940 503 S CB 0.379 63.532 63.200 -0.078 0.000 0.799 503 S HN 0.702 nan 8.310 nan 0.000 0.508 504 A N 0.617 123.385 122.820 -0.086 0.000 2.520 504 A HA 0.777 5.097 4.320 0.000 0.000 0.298 504 A C -1.639 175.880 177.584 -0.108 0.000 1.051 504 A CA -0.669 51.306 52.037 -0.102 0.000 0.690 504 A CB 1.685 20.616 19.000 -0.114 0.000 1.281 504 A HN 0.640 nan 8.150 nan 0.000 0.402 505 L N 0.907 122.050 121.223 -0.134 0.000 2.505 505 L HA 0.712 5.053 4.340 0.000 0.000 0.266 505 L C -0.870 175.869 176.870 -0.219 0.000 0.954 505 L CA 0.098 54.829 54.840 -0.181 0.000 0.852 505 L CB 2.082 44.035 42.059 -0.177 0.000 1.282 505 L HN 0.862 nan 8.230 nan 0.000 0.403 506 Q N 4.704 124.340 119.800 -0.273 0.000 2.347 506 Q HA 0.702 5.042 4.340 0.000 0.000 0.271 506 Q C -1.844 173.952 176.000 -0.341 0.000 1.064 506 Q CA -0.641 55.005 55.803 -0.261 0.000 0.800 506 Q CB 2.162 30.773 28.738 -0.212 0.000 1.304 506 Q HN 0.823 nan 8.270 nan 0.000 0.438 507 M N 2.973 122.401 119.600 -0.287 0.000 2.253 507 M HA 0.378 4.858 4.480 0.000 0.000 0.314 507 M C -1.525 174.696 176.300 -0.132 0.000 1.019 507 M CA -0.530 54.616 55.300 -0.257 0.000 0.932 507 M CB 1.841 34.278 32.600 -0.273 0.000 1.606 507 M HN 0.465 nan 8.290 nan 0.000 0.430 508 D N 5.364 125.715 120.400 -0.082 0.000 2.441 508 D HA 0.366 5.006 4.640 0.000 0.000 0.287 508 D C -0.623 175.670 176.300 -0.011 0.000 1.198 508 D CA -0.078 53.895 54.000 -0.046 0.000 0.894 508 D CB 0.795 41.566 40.800 -0.048 0.000 1.070 508 D HN 0.463 nan 8.370 nan 0.000 0.499 509 I N 1.495 122.059 120.570 -0.010 0.000 2.416 509 I HA 0.096 4.266 4.170 0.000 0.000 0.288 509 I C 1.690 177.808 176.117 0.001 0.000 1.051 509 I CA -0.192 61.109 61.300 0.002 0.000 1.375 509 I CB 0.900 38.896 38.000 -0.008 0.000 1.407 509 I HN 0.078 nan 8.210 nan 0.000 0.516 510 K N 7.109 127.517 120.400 0.012 0.000 2.372 510 K HA 0.327 4.647 4.320 0.000 0.000 0.200 510 K C 0.149 176.752 176.600 0.006 0.000 1.022 510 K CA -0.075 56.223 56.287 0.019 0.000 1.125 510 K CB 0.125 32.652 32.500 0.044 0.000 0.855 510 K HN 0.697 nan 8.250 nan 0.000 0.524 511 I N -2.926 117.640 120.570 -0.006 0.000 2.910 511 I HA 0.361 4.531 4.170 0.000 0.000 0.310 511 I C 0.609 176.702 176.117 -0.040 0.000 1.043 511 I CA -1.105 60.184 61.300 -0.019 0.000 1.053 511 I CB 2.062 40.055 38.000 -0.011 0.000 1.242 511 I HN -0.150 nan 8.210 nan 0.000 0.452 512 E N 2.914 123.082 120.200 -0.053 0.000 2.008 512 E HA 0.041 4.391 4.350 0.000 0.000 0.191 512 E C 1.136 177.703 176.600 -0.056 0.000 0.986 512 E CA 0.817 57.176 56.400 -0.068 0.000 0.807 512 E CB -0.266 29.385 29.700 -0.081 0.000 0.766 512 E HN 0.860 nan 8.360 nan 0.000 0.450 513 G N 1.637 110.409 108.800 -0.046 0.000 2.353 513 G HA2 0.319 4.279 3.960 0.000 0.000 0.239 513 G HA3 0.319 4.279 3.960 0.000 0.000 0.239 513 G C -0.358 174.509 174.900 -0.054 0.000 1.295 513 G CA 0.035 45.108 45.100 -0.046 0.000 0.884 513 G HN 0.222 nan 8.290 nan 0.000 0.537 514 I N 0.690 121.218 120.570 -0.070 0.000 2.836 514 I HA 0.509 4.679 4.170 0.000 0.000 0.298 514 I C -0.814 175.236 176.117 -0.111 0.000 1.600 514 I CA -0.760 60.485 61.300 -0.092 0.000 0.972 514 I CB 2.276 40.225 38.000 -0.086 0.000 1.385 514 I HN 0.734 nan 8.210 nan 0.000 0.520 515 T N 1.699 116.172 114.554 -0.136 0.000 2.886 515 T HA 0.351 4.701 4.350 0.000 0.000 0.292 515 T C 0.413 175.031 174.700 -0.136 0.000 1.012 515 T CA -0.818 61.201 62.100 -0.136 0.000 0.982 515 T CB 2.137 70.913 68.868 -0.153 0.000 1.018 515 T HN 0.795 nan 8.240 nan 0.000 0.451 516 K N 0.696 121.030 120.400 -0.109 0.000 2.211 516 K HA -0.165 4.155 4.320 0.000 0.000 0.204 516 K C 1.599 178.147 176.600 -0.086 0.000 1.047 516 K CA 1.363 57.598 56.287 -0.087 0.000 0.935 516 K CB 0.071 32.533 32.500 -0.062 0.000 0.728 516 K HN 0.597 nan 8.250 nan 0.000 0.452 517 E N 0.694 120.829 120.200 -0.109 0.000 2.072 517 E HA -0.176 4.174 4.350 0.000 0.000 0.191 517 E C 2.038 178.526 176.600 -0.186 0.000 0.985 517 E CA 1.402 57.733 56.400 -0.115 0.000 0.801 517 E CB -0.189 29.453 29.700 -0.098 0.000 0.750 517 E HN 0.609 nan 8.360 nan 0.000 0.452 518 I N -2.634 117.753 120.570 -0.304 0.000 2.761 518 I HA -0.042 4.128 4.170 0.000 0.000 0.261 518 I C 2.361 178.323 176.117 -0.260 0.000 1.198 518 I CA 0.732 61.789 61.300 -0.405 0.000 1.482 518 I CB -0.296 37.355 38.000 -0.582 0.000 1.100 518 I HN -0.082 nan 8.210 nan 0.000 0.445 519 M N 0.724 120.238 119.600 -0.144 0.000 2.254 519 M HA -0.142 4.338 4.480 0.000 0.000 0.265 519 M C 2.357 178.639 176.300 -0.029 0.000 1.066 519 M CA 1.654 56.941 55.300 -0.023 0.000 1.123 519 M CB -0.182 32.460 32.600 0.070 0.000 1.388 519 M HN 0.316 nan 8.290 nan 0.000 0.425 520 Q N 0.320 120.089 119.800 -0.051 0.000 2.046 520 Q HA -0.127 4.213 4.340 0.000 0.000 0.200 520 Q C 1.774 177.743 176.000 -0.051 0.000 0.975 520 Q CA 1.781 57.567 55.803 -0.028 0.000 0.836 520 Q CB -0.533 28.191 28.738 -0.023 0.000 0.896 520 Q HN 0.338 nan 8.270 nan 0.000 0.428 521 V N 0.101 119.964 119.914 -0.085 0.000 2.719 521 V HA -0.014 4.106 4.120 0.000 0.000 0.252 521 V C 1.913 177.923 176.094 -0.140 0.000 1.065 521 V CA 1.628 63.885 62.300 -0.072 0.000 1.086 521 V CB -0.497 31.319 31.823 -0.012 0.000 0.700 521 V HN 0.504 nan 8.190 nan 0.000 0.467 522 A N -0.486 122.160 122.820 -0.290 0.000 1.929 522 A HA 0.009 4.329 4.320 0.000 0.000 0.216 522 A C 2.076 179.424 177.584 -0.394 0.000 1.176 522 A CA 1.479 53.194 52.037 -0.538 0.000 0.628 522 A CB -0.365 17.918 19.000 -1.195 0.000 0.816 522 A HN 0.542 nan 8.150 nan 0.000 0.444 523 L N -0.645 120.484 121.223 -0.158 0.000 2.109 523 L HA -0.119 4.221 4.340 0.000 0.000 0.207 523 L C 2.424 179.316 176.870 0.037 0.000 1.086 523 L CA 1.444 56.343 54.840 0.098 0.000 0.760 523 L CB -0.478 41.681 42.059 0.166 0.000 0.910 523 L HN 0.427 nan 8.230 nan 0.000 0.437 524 N N -0.065 118.632 118.700 -0.005 0.000 2.270 524 N HA -0.214 4.526 4.740 0.000 0.000 0.181 524 N C 1.866 177.373 175.510 -0.005 0.000 1.016 524 N CA 1.051 54.101 53.050 0.000 0.000 0.870 524 N CB 0.083 38.568 38.487 -0.004 0.000 0.979 524 N HN 0.256 nan 8.380 nan 0.000 0.431 525 Q N -0.840 118.943 119.800 -0.028 0.000 2.245 525 Q HA 0.080 4.420 4.340 0.000 0.000 0.201 525 Q C 1.752 177.749 176.000 -0.005 0.000 0.955 525 Q CA 0.930 56.718 55.803 -0.024 0.000 0.870 525 Q CB -0.053 28.656 28.738 -0.048 0.000 0.945 525 Q HN 0.461 nan 8.270 nan 0.000 0.461 526 A N 0.579 123.403 122.820 0.007 0.000 1.902 526 A HA -0.091 4.229 4.320 0.000 0.000 0.217 526 A C 1.335 178.949 177.584 0.049 0.000 1.181 526 A CA 1.023 53.089 52.037 0.048 0.000 0.623 526 A CB -0.378 18.686 19.000 0.106 0.000 0.818 526 A HN 0.104 nan 8.150 nan 0.000 0.443 527 K N -0.255 120.170 120.400 0.042 0.000 2.383 527 K HA 0.423 4.743 4.320 0.000 0.000 0.286 527 K C 1.000 177.620 176.600 0.034 0.000 1.051 527 K CA 0.896 57.205 56.287 0.036 0.000 0.974 527 K CB -0.184 32.333 32.500 0.029 0.000 0.968 527 K HN 1.555 nan 8.250 nan 0.000 0.475 528 G N 2.518 111.344 108.800 0.043 0.000 2.561 528 G HA2 -0.264 3.696 3.960 0.000 0.000 0.203 528 G HA3 -0.264 3.696 3.960 0.000 0.000 0.203 528 G C 1.272 176.215 174.900 0.072 0.000 1.101 528 G CA 0.365 45.495 45.100 0.050 0.000 0.711 528 G HN 1.185 nan 8.290 nan 0.000 0.511 529 A N 0.620 123.475 122.820 0.060 0.000 1.968 529 A HA 0.268 4.589 4.320 0.000 0.000 0.217 529 A C 2.196 179.847 177.584 0.113 0.000 1.169 529 A CA 2.067 54.147 52.037 0.073 0.000 0.638 529 A CB -0.369 18.658 19.000 0.044 0.000 0.812 529 A HN 0.486 nan 8.150 nan 0.000 0.446 530 R N -0.494 120.058 120.500 0.087 0.000 2.092 530 R HA 0.040 4.380 4.340 0.000 0.000 0.231 530 R C 1.846 178.195 176.300 0.082 0.000 1.119 530 R CA 1.290 57.438 56.100 0.080 0.000 0.970 530 R CB -0.406 29.926 30.300 0.053 0.000 0.864 530 R HN 0.489 nan 8.270 nan 0.000 0.440 531 L N -0.992 120.280 121.223 0.081 0.000 2.217 531 L HA -0.133 4.207 4.340 0.000 0.000 0.211 531 L C 2.340 179.263 176.870 0.088 0.000 1.107 531 L CA 1.100 55.981 54.840 0.068 0.000 0.783 531 L CB -0.397 41.696 42.059 0.057 0.000 0.919 531 L HN 0.265 nan 8.230 nan 0.000 0.442 532 H N 0.543 119.636 119.070 0.038 0.000 2.326 532 H HA -0.116 4.440 4.556 0.000 0.000 0.301 532 H C 2.183 177.547 175.328 0.060 0.000 1.081 532 H CA 1.825 57.899 56.048 0.043 0.000 1.334 532 H CB 0.090 29.877 29.762 0.042 0.000 1.385 532 H HN 0.181 nan 8.280 nan 0.000 0.504 533 I N -0.187 120.473 120.570 0.149 0.000 2.315 533 I HA -0.196 3.974 4.170 0.000 0.000 0.248 533 I C 2.443 178.597 176.117 0.061 0.000 1.117 533 I CA 0.876 62.255 61.300 0.132 0.000 1.404 533 I CB -0.203 37.921 38.000 0.208 0.000 1.071 533 I HN 0.268 nan 8.210 nan 0.000 0.419 534 L N 0.722 121.969 121.223 0.039 0.000 2.131 534 L HA -0.115 4.225 4.340 0.000 0.000 0.210 534 L C 2.441 179.306 176.870 -0.009 0.000 1.092 534 L CA 1.586 56.433 54.840 0.012 0.000 0.759 534 L CB -0.536 41.530 42.059 0.011 0.000 0.903 534 L HN 0.279 nan 8.230 nan 0.000 0.435 535 G N -1.235 107.544 108.800 -0.035 0.000 2.402 535 G HA2 -0.189 3.771 3.960 0.000 0.000 0.216 535 G HA3 -0.189 3.771 3.960 0.000 0.000 0.216 535 G C 1.453 176.310 174.900 -0.072 0.000 1.162 535 G CA 0.895 45.958 45.100 -0.062 0.000 0.777 535 G HN 0.280 nan 8.290 nan 0.000 0.539 536 V N 0.840 120.695 119.914 -0.099 0.000 2.453 536 V HA -0.111 4.009 4.120 0.000 0.000 0.247 536 V C 2.822 178.922 176.094 0.011 0.000 1.048 536 V CA 1.722 63.987 62.300 -0.058 0.000 1.049 536 V CB -0.366 31.418 31.823 -0.065 0.000 0.672 536 V HN 0.338 nan 8.190 nan 0.000 0.457 537 M N -0.515 119.107 119.600 0.036 0.000 2.159 537 M HA -0.172 4.308 4.480 0.000 0.000 0.263 537 M C 2.118 178.431 176.300 0.020 0.000 1.063 537 M CA 1.741 57.071 55.300 0.049 0.000 1.110 537 M CB -0.339 32.283 32.600 0.036 0.000 1.374 537 M HN 0.344 nan 8.290 nan 0.000 0.411 538 E N -0.306 119.896 120.200 0.004 0.000 2.358 538 E HA -0.145 4.205 4.350 0.000 0.000 0.195 538 E C 1.914 178.512 176.600 -0.002 0.000 1.010 538 E CA 0.536 56.935 56.400 -0.002 0.000 0.856 538 E CB 0.054 29.750 29.700 -0.008 0.000 0.795 538 E HN 0.599 nan 8.360 nan 0.000 0.504 539 Q N 0.091 119.889 119.800 -0.004 0.000 2.167 539 Q HA -0.091 4.249 4.340 0.000 0.000 0.202 539 Q C 2.044 178.046 176.000 0.004 0.000 0.970 539 Q CA 1.210 57.011 55.803 -0.004 0.000 0.855 539 Q CB 0.037 28.769 28.738 -0.011 0.000 0.911 539 Q HN 0.187 nan 8.270 nan 0.000 0.438 540 A N 1.200 124.027 122.820 0.012 0.000 1.844 540 A HA 0.118 4.438 4.320 0.000 0.000 0.212 540 A C 1.142 178.734 177.584 0.013 0.000 1.221 540 A CA 0.664 52.711 52.037 0.017 0.000 0.607 540 A CB 0.030 19.049 19.000 0.031 0.000 0.878 540 A HN 0.391 nan 8.150 nan 0.000 0.451 541 I N -3.466 117.111 120.570 0.012 0.000 2.619 541 I HA 0.558 4.728 4.170 0.000 0.000 0.292 541 I C -0.421 175.696 176.117 -0.000 0.000 1.100 541 I CA -0.845 60.459 61.300 0.006 0.000 1.043 541 I CB 2.312 40.316 38.000 0.007 0.000 1.239 541 I HN 0.216 nan 8.210 nan 0.000 0.420 542 N N 3.843 122.540 118.700 -0.005 0.000 2.382 542 N HA 0.381 5.121 4.740 0.000 0.000 0.200 542 N C -0.034 175.467 175.510 -0.015 0.000 1.122 542 N CA 0.231 53.275 53.050 -0.009 0.000 0.870 542 N CB 0.881 39.363 38.487 -0.008 0.000 1.176 542 N HN 0.770 nan 8.380 nan 0.000 0.474 543 A N 1.036 123.847 122.820 -0.015 0.000 2.356 543 A HA 0.717 5.037 4.320 0.000 0.000 0.310 543 A C -2.429 175.140 177.584 -0.026 0.000 1.075 543 A CA -1.148 50.876 52.037 -0.022 0.000 0.746 543 A CB 1.002 19.992 19.000 -0.017 0.000 1.221 543 A HN 0.196 nan 8.150 nan 0.000 0.443 544 P HA 0.000 nan 4.420 nan 0.000 0.216 544 P CA 0.000 63.071 63.100 -0.049 0.000 0.800 544 P CB 0.000 31.650 31.700 -0.084 0.000 0.726